N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

C19H23N7 — CID 56914948

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESCc1cc(CN(C)c2nc(-c3ccccn3)nc3c2CCNCC3)n[nH]1
InChIInChI=1S/C19H23N7/c1-13-11-14(25-24-13)12-26(2)19-15-6-9-20-10-7-16(15)22-18(23-19)17-5-3-4-8-21-17/h3-5,8,11,20H,6-7,9-10,12H2,1-2H3,(H,24,25)
InChIKeyNGLIXWPTOBNGJM-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (PubChem CID 56914948) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
PubChem CID56914948
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESCc1cc(CN(C)c2nc(-c3ccccn3)nc3c2CCNCC3)n[nH]1
InChIInChI=1S/C19H23N7/c1-13-11-14(25-24-13)12-26(2)19-15-6-9-20-10-7-16(15)22-18(23-19)17-5-3-4-8-21-17/h3-5,8,11,20H,6-7,9-10,12H2,1-2H3,(H,24,25)
InChIKeyNGLIXWPTOBNGJM-UHFFFAOYSA-N
XLogP1.89
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine with MolForge

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Related Compounds

2-(furan-2-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56900373
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 46995689
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56883022
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56866186
2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde
CID 157030264
[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone
CID 56876767
4-N-[(5-ethyl-2-pyridinyl)methyl]-4-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine;dihydrochloride
CID 154886714
2-(furan-2-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 95896046
N-[1-(2-methoxyphenyl)propyl]-N-methyl-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 167797977
2-pyridin-2-yl-N-(1-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 70777142
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (CID 56914948) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is Cc1cc(CN(C)c2nc(-c3ccccn3)nc3c2CCNCC3)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The InChIKey is NGLIXWPTOBNGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-13-11-14(25-24-13)12-26(2)19-15-6-9-20-10-7-16(15)22-18(23-19)17-5-3-4-8-21-17/h3-5,8,11,20H,6-7,9-10,12H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 56914948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).