N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C17H22N8 — CID 155942652

IUPACN,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc2ncnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c2[nH]1
InChIInChI=1S/C17H22N8/c1-12-8-13-16(22-12)17(21-10-18-13)25-6-4-24(5-7-25)15-9-14(23(2)3)19-11-20-15/h8-11,22H,4-7H2,1-3H3
InChIKeyNMRIGPYJMNEFLD-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.45
Rot. Bonds3

About N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 155942652) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID155942652
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc2ncnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c2[nH]1
InChIInChI=1S/C17H22N8/c1-12-8-13-16(22-12)17(21-10-18-13)25-6-4-24(5-7-25)15-9-14(23(2)3)19-11-20-15/h8-11,22H,4-7H2,1-3H3
InChIKeyNMRIGPYJMNEFLD-UHFFFAOYSA-N
XLogP1.45
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 166605553
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 154853672
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282072
N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155981005
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 155942314
6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
CID 122282250
6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 126934198
N,N-dimethyl-6-[4-(4-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 171323717

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 155942652) is N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is Cc1cc2ncnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c2[nH]1.
What is the InChIKey of N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is NMRIGPYJMNEFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-12-8-13-16(22-12)17(21-10-18-13)25-6-4-24(5-7-25)15-9-14(23(2)3)19-11-20-15/h8-11,22H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 155942652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).