N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine

C16H25N7 — CID 95334725

IUPACN-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H](CNCCn3cccn3)C2)ncn1
InChIInChI=1S/C16H25N7/c1-17-15-10-16(20-13-19-15)22-7-2-4-14(12-22)11-18-6-9-23-8-3-5-21-23/h3,5,8,10,13-14,18H,2,4,6-7,9,11-12H2,1H3,(H,17,19,20)/t14-/m1/s1
InChIKeyUZNOAQQKKYPTRB-CQSZACIVSA-N
MW315.42 g/mol
LogP1.22
Rot. Bonds7

About N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine

N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 95334725) has the molecular formula C16H25N7 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID95334725
Molecular FormulaC16H25N7
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC NameN-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H](CNCCn3cccn3)C2)ncn1
InChIInChI=1S/C16H25N7/c1-17-15-10-16(20-13-19-15)22-7-2-4-14(12-22)11-18-6-9-23-8-3-5-21-23/h3,5,8,10,13-14,18H,2,4,6-7,9,11-12H2,1H3,(H,17,19,20)/t14-/m1/s1
InChIKeyUZNOAQQKKYPTRB-CQSZACIVSA-N
XLogP1.22
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine (CID 95334725) is N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCC[C@H](CNCCn3cccn3)C2)ncn1.
What is the InChIKey of N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is UZNOAQQKKYPTRB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N7/c1-17-15-10-16(20-13-19-15)22-7-2-4-14(12-22)11-18-6-9-23-8-3-5-21-23/h3,5,8,10,13-14,18H,2,4,6-7,9,11-12H2,1H3,(H,17,19,20)/t14-/m1/s1.
What are the key properties of N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95334725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).