4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine

C15H23N7 — CID 167977988

IUPAC4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
SMILESCc1nccn1-c1ccnc(NCCCN2CCNCC2)n1
InChIInChI=1S/C15H23N7/c1-13-17-8-12-22(13)14-3-5-19-15(20-14)18-4-2-9-21-10-6-16-7-11-21/h3,5,8,12,16H,2,4,6-7,9-11H2,1H3,(H,18,19,20)
InChIKeyDHHRMESWLQZOCK-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.68
Rot. Bonds6

About 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine

4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine (PubChem CID 167977988) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
PubChem CID167977988
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
SMILESCc1nccn1-c1ccnc(NCCCN2CCNCC2)n1
InChIInChI=1S/C15H23N7/c1-13-17-8-12-22(13)14-3-5-19-15(20-14)18-4-2-9-21-10-6-16-7-11-21/h3,5,8,12,16H,2,4,6-7,9-11H2,1H3,(H,18,19,20)
InChIKeyDHHRMESWLQZOCK-UHFFFAOYSA-N
XLogP0.68
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 62958220
2-N-(3-methylphenyl)-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 91217991
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
CID 116976068
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
N-(3-piperazin-1-ylpropyl)quinolin-4-amine
CID 61339738
4-(2-anilinophenyl)-N-(3-piperazin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 23535946
4-(azepan-1-yl)-N-[(E)-hept-5-enyl]pyrimidin-2-amine
CID 140517173
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
CID 166312968

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine (CID 167977988) is 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine is Cc1nccn1-c1ccnc(NCCCN2CCNCC2)n1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is DHHRMESWLQZOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-13-17-8-12-22(13)14-3-5-19-15(20-14)18-4-2-9-21-10-6-16-7-11-21/h3,5,8,12,16H,2,4,6-7,9-11H2,1H3,(H,18,19,20).
What are the key properties of 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine?
4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 301.40 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 167977988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).