7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine

C13H22N4O — CID 97404846

IUPAC7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
SMILESCOCCN1CCc2ncnc(N(C)C)c2CC1
InChIInChI=1S/C13H22N4O/c1-16(2)13-11-4-6-17(8-9-18-3)7-5-12(11)14-10-15-13/h10H,4-9H2,1-3H3
InChIKeyOMFXYTCBHBRRPP-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.59
Rot. Bonds4

About 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine

7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine (PubChem CID 97404846) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine.

Molecular Properties

Compound Name7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
PubChem CID97404846
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
SMILESCOCCN1CCc2ncnc(N(C)C)c2CC1
InChIInChI=1S/C13H22N4O/c1-16(2)13-11-4-6-17(8-9-18-3)7-5-12(11)14-10-15-13/h10H,4-9H2,1-3H3
InChIKeyOMFXYTCBHBRRPP-UHFFFAOYSA-N
XLogP0.59
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The IUPAC name of 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine (CID 97404846) is 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine.
What is the SMILES notation for 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The canonical SMILES for 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine is COCCN1CCc2ncnc(N(C)C)c2CC1.
What is the InChIKey of 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The InChIKey is OMFXYTCBHBRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)13-11-4-6-17(8-9-18-3)7-5-12(11)14-10-15-13/h10H,4-9H2,1-3H3.
What are the key properties of 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 97404846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).