N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine

C16H20N4 — CID 97462135

IUPACN,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
SMILESCN(C)c1ncnc2c1CCN(c1ccccc1)CC2
InChIInChI=1S/C16H20N4/c1-19(2)16-14-8-10-20(13-6-4-3-5-7-13)11-9-15(14)17-12-18-16/h3-7,12H,8-11H2,1-2H3
InChIKeyPUSWOEMEZHXLLY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.15
Rot. Bonds2

About N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine

N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine (PubChem CID 97462135) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
PubChem CID97462135
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
SMILESCN(C)c1ncnc2c1CCN(c1ccccc1)CC2
InChIInChI=1S/C16H20N4/c1-19(2)16-14-8-10-20(13-6-4-3-5-7-13)11-9-15(14)17-12-18-16/h3-7,12H,8-11H2,1-2H3
InChIKeyPUSWOEMEZHXLLY-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The IUPAC name of N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine (CID 97462135) is N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine.
What is the SMILES notation for N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The canonical SMILES for N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine is CN(C)c1ncnc2c1CCN(c1ccccc1)CC2.
What is the InChIKey of N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The InChIKey is PUSWOEMEZHXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-19(2)16-14-8-10-20(13-6-4-3-5-7-13)11-9-15(14)17-12-18-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 97462135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).