N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine

C19H29N7 — CID 56894397

IUPACN,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine
SMILESCN(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C19H29N7/c1-23(2)19-21-17-7-11-25(14-15-12-20-24(3)13-15)10-6-16(17)18(22-19)26-8-4-5-9-26/h12-13H,4-11,14H2,1-3H3
InChIKeyGYLWMUGZVQGSTI-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.48
Rot. Bonds4

About N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine

N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine (PubChem CID 56894397) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine
PubChem CID56894397
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC NameN,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine
SMILESCN(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C19H29N7/c1-23(2)19-21-17-7-11-25(14-15-12-20-24(3)13-15)10-6-16(17)18(22-19)26-8-4-5-9-26/h12-13H,4-11,14H2,1-3H3
InChIKeyGYLWMUGZVQGSTI-UHFFFAOYSA-N
XLogP1.48
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-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,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine?
The IUPAC name of N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine (CID 56894397) is N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine.
What is the SMILES notation for N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine?
The canonical SMILES for N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine is CN(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine?
The InChIKey is GYLWMUGZVQGSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-23(2)19-21-17-7-11-25(14-15-12-20-24(3)13-15)10-6-16(17)18(22-19)26-8-4-5-9-26/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine?
N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine has a molecular weight of 355.49 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine is sourced from PubChem (CID 56894397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).