3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

C19H32N6O — CID 53174344

IUPAC3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCCNc1cc(N2CCCC(CCC(=O)N3CCN(C)CC3)C2)ncn1
InChIInChI=1S/C19H32N6O/c1-3-20-17-13-18(22-15-21-17)25-8-4-5-16(14-25)6-7-19(26)24-11-9-23(2)10-12-24/h13,15-16H,3-12,14H2,1-2H3,(H,20,21,22)
InChIKeySMMJJQZTWHULND-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.68
Rot. Bonds6

About 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 53174344) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID53174344
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCCNc1cc(N2CCCC(CCC(=O)N3CCN(C)CC3)C2)ncn1
InChIInChI=1S/C19H32N6O/c1-3-20-17-13-18(22-15-21-17)25-8-4-5-16(14-25)6-7-19(26)24-11-9-23(2)10-12-24/h13,15-16H,3-12,14H2,1-2H3,(H,20,21,22)
InChIKeySMMJJQZTWHULND-UHFFFAOYSA-N
XLogP1.68
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

(4-Methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170408
(4-Methylpiperidin-1-yl)-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133534377
[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-(Cyclohexylmethyl)-1-(pyrimidin-2-YL)piperidine-3-carboxamide
CID 3223371
1-pyrimidin-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501839
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033
N-{[4-(dimethylamino)pyrimidin-2-yl]methyl}cyclohexanecarboxamide
CID 72718211
4-(4-Amino-2-pyrimidinyl)-9-ethyl-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72881484
N-[1-(cyclopentylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72888219
[1-[6-(Cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155542518
N-(4-piperazin-1-ylpyrimidin-2-yl)cyclopentanecarboxamide
CID 172434262

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one (CID 53174344) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one is CCNc1cc(N2CCCC(CCC(=O)N3CCN(C)CC3)C2)ncn1.
What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is SMMJJQZTWHULND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-3-20-17-13-18(22-15-21-17)25-8-4-5-16(14-25)6-7-19(26)24-11-9-23(2)10-12-24/h13,15-16H,3-12,14H2,1-2H3,(H,20,21,22).
What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 360.51 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 53174344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).