N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

C19H26N8O — CID 175096890

IUPACN,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCN1CCN(c2ccc(Nc3ncc4c(n3)CC(C(=O)N(C)C)N4)nc2)CC1
InChIInChI=1S/C19H26N8O/c1-25(2)18(28)15-10-14-16(22-15)12-21-19(23-14)24-17-5-4-13(11-20-17)27-8-6-26(3)7-9-27/h4-5,11-12,15,22H,6-10H2,1-3H3,(H,20,21,23,24)
InChIKeyRYVLAUSYTKLLHC-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.79
Rot. Bonds4

About N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 175096890) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
PubChem CID175096890
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC NameN,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCN1CCN(c2ccc(Nc3ncc4c(n3)CC(C(=O)N(C)C)N4)nc2)CC1
InChIInChI=1S/C19H26N8O/c1-25(2)18(28)15-10-14-16(22-15)12-21-19(23-14)24-17-5-4-13(11-20-17)27-8-6-26(3)7-9-27/h4-5,11-12,15,22H,6-10H2,1-3H3,(H,20,21,23,24)
InChIKeyRYVLAUSYTKLLHC-UHFFFAOYSA-N
XLogP0.79
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 70900609
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 166563030
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-11-one
CID 118462048
7-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-N-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 156634860
2,2-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 47215724
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-14,1'-cyclohexane]-8-one
CID 123476117
(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 94146394
(5S)-5-methyl-4-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-oxopiperazine-1-carboxylic acid
CID 138595666
1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5-propan-2-ylpyrazolidin-3-one
CID 138595637
(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one
CID 138595624

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (CID 175096890) is N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is CN1CCN(c2ccc(Nc3ncc4c(n3)CC(C(=O)N(C)C)N4)nc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is RYVLAUSYTKLLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-25(2)18(28)15-10-14-16(22-15)12-21-19(23-14)24-17-5-4-13(11-20-17)27-8-6-26(3)7-9-27/h4-5,11-12,15,22H,6-10H2,1-3H3,(H,20,21,23,24).
What are the key properties of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175096890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).