4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine

C15H24N6 — CID 68543502

IUPAC4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CCC2C3)cc(N2CCNCC2)n1
InChIInChI=1S/C15H24N6/c16-15-19-13(18-12-8-10-1-2-11(12)7-10)9-14(20-15)21-5-3-17-4-6-21/h9-12,17H,1-8H2,(H3,16,18,19,20)
InChIKeyPMAPRTXVIZHMMQ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.07
Rot. Bonds3

About 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine

4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine (PubChem CID 68543502) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
PubChem CID68543502
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC3CCC2C3)cc(N2CCNCC2)n1
InChIInChI=1S/C15H24N6/c16-15-19-13(18-12-8-10-1-2-11(12)7-10)9-14(20-15)21-5-3-17-4-6-21/h9-12,17H,1-8H2,(H3,16,18,19,20)
InChIKeyPMAPRTXVIZHMMQ-UHFFFAOYSA-N
XLogP1.07
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
CID 68551084
tert-butyl 4-[2-amino-6-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate
CID 68548586
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 68551068
tert-butyl (4aR,7aR)-6-[2-amino-6-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]pyrimidin-4-yl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylate
CID 91391877
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
2-N-[[4-[[3-(2-bicyclo[2.2.1]heptanylamino)propylamino]methyl]cyclohexyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine
CID 76640212
2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80825648
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 24745834
(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
CID 165494645
4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80959753

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine (CID 68543502) is 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine is Nc1nc(NC2CC3CCC2C3)cc(N2CCNCC2)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
The InChIKey is PMAPRTXVIZHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c16-15-19-13(18-12-8-10-1-2-11(12)7-10)9-14(20-15)21-5-3-17-4-6-21/h9-12,17H,1-8H2,(H3,16,18,19,20).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine?
4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 68543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).