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

C18H24N8 — CID 155981603

IUPACN,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H24N8/c1-12-9-14-16(21-12)17(20-11-19-14)26-7-5-25(6-8-26)15-10-13(2)22-18(23-15)24(3)4/h9-11,21H,5-8H2,1-4H3
InChIKeyAGPRZVAHXPYBBD-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.76
Rot. Bonds3

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

N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 155981603) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID155981603
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC NameN,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H24N8/c1-12-9-14-16(21-12)17(20-11-19-14)26-7-5-25(6-8-26)15-10-13(2)22-18(23-15)24(3)4/h9-11,21H,5-8H2,1-4H3
InChIKeyAGPRZVAHXPYBBD-UHFFFAOYSA-N
XLogP1.76
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155942652
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
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-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154883425
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 146078208
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 154883377
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 154853672
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962
6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 154580454
N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166604642

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (CID 155981603) is N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is AGPRZVAHXPYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-12-9-14-16(21-12)17(20-11-19-14)26-7-5-25(6-8-26)15-10-13(2)22-18(23-15)24(3)4/h9-11,21H,5-8H2,1-4H3.
What are the key properties of N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 352.45 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 155981603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).