N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C14H19N5 — CID 63351822

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2)nc2c1CCCCC2
InChIInChI=1S/C14H19N5/c1-15-14-11-6-4-3-5-7-12(11)17-13(18-14)10-8-16-19(2)9-10/h8-9H,3-7H2,1-2H3,(H,15,17,18)
InChIKeySBPXUVKXGGHWNZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds2

About N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63351822) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63351822
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2)nc2c1CCCCC2
InChIInChI=1S/C14H19N5/c1-15-14-11-6-4-3-5-7-12(11)17-13(18-14)10-8-16-19(2)9-10/h8-9H,3-7H2,1-2H3,(H,15,17,18)
InChIKeySBPXUVKXGGHWNZ-UHFFFAOYSA-N
XLogP2.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]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-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63351822) is N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CNc1nc(-c2cnn(C)c2)nc2c1CCCCC2.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is SBPXUVKXGGHWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-15-14-11-6-4-3-5-7-12(11)17-13(18-14)10-8-16-19(2)9-10/h8-9H,3-7H2,1-2H3,(H,15,17,18).
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63351822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).