N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine

C16H14N6 — CID 156686090

IUPACN-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine
SMILESCc1cc(Nc2ncc3c(n2)-c2ccccc2C=NC3)n[nH]1
InChIInChI=1S/C16H14N6/c1-10-6-14(22-21-10)19-16-18-9-12-8-17-7-11-4-2-3-5-13(11)15(12)20-16/h2-7,9H,8H2,1H3,(H2,18,19,20,21,22)
InChIKeyJXVQDTLDHSRBND-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.85
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine

N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine (PubChem CID 156686090) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine
PubChem CID156686090
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine
SMILESCc1cc(Nc2ncc3c(n2)-c2ccccc2C=NC3)n[nH]1
InChIInChI=1S/C16H14N6/c1-10-6-14(22-21-10)19-16-18-9-12-8-17-7-11-4-2-3-5-13(11)15(12)20-16/h2-7,9H,8H2,1H3,(H2,18,19,20,21,22)
InChIKeyJXVQDTLDHSRBND-UHFFFAOYSA-N
XLogP2.85
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine
CID 156686034
N-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]-5H-pyrimido[5,4-d][2]benzazepin-2-amine
CID 156686073
2-(methylaminomethyl)-N-(5H-pyrimido[5,4-d][2]benzazepin-2-yl)-1,3-benzoxazol-6-amine
CID 156686075
[3-(methylamino)azetidin-1-yl]-[4-(5H-pyrimido[5,4-d][2]benzazepin-2-ylamino)phenyl]methanone
CID 156686081
N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10222301
2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 83619053
2-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 154274920
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 91431192
2-(4-methylanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 45379491
[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
CID 170985113
N-(5-methyl-1H-pyrazol-3-yl)-1,4-dioxido-1,4-dihydro-1,2,4-benzotriazine-1,4-diium-3-amine
CID 90684907
N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10294507

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine (CID 156686090) is N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine is Cc1cc(Nc2ncc3c(n2)-c2ccccc2C=NC3)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
The InChIKey is JXVQDTLDHSRBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-10-6-14(22-21-10)19-16-18-9-12-8-17-7-11-4-2-3-5-13(11)15(12)20-16/h2-7,9H,8H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine?
N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine is sourced from PubChem (CID 156686090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).