4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine

C14H21ClN4O — CID 91313217

IUPAC4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nc(Cl)nc2c1CCN(C)CC2
InChIInChI=1S/C14H21ClN4O/c1-10-9-20-8-7-19(10)13-11-3-5-18(2)6-4-12(11)16-14(15)17-13/h10H,3-9H2,1-2H3
InChIKeyDHIHEWIMBJRNSD-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.39
Rot. Bonds1

About 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine

4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine (PubChem CID 91313217) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine
PubChem CID91313217
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nc(Cl)nc2c1CCN(C)CC2
InChIInChI=1S/C14H21ClN4O/c1-10-9-20-8-7-19(10)13-11-3-5-18(2)6-4-12(11)16-14(15)17-13/h10H,3-9H2,1-2H3
InChIKeyDHIHEWIMBJRNSD-UHFFFAOYSA-N
XLogP1.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine with MolForge

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Related Compounds

4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidine-2,4-diamine
CID 135271018
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
4-methyl-2-morpholino-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 1481060
5-Ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
CID 879218
4-Methyl-2-morpholino-5,6,7,8-tetrahydroquinazoline
CID 1484754
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;hydrochloride
CID 73347434
4-[2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]morpholine;hydrochloride
CID 73353508
N-methyl-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;hydrochloride
CID 73355000
Cyclopropyl-(4-methyl-2-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97515625
4-Ethyl-5-methyl-6-[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine
CID 72875589
N-ethyl-N-methyl-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 46050203

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine?
The IUPAC name of 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine (CID 91313217) is 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine?
The canonical SMILES for 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine is CC1COCCN1c1nc(Cl)nc2c1CCN(C)CC2.
What is the InChIKey of 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine?
The InChIKey is DHIHEWIMBJRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-10-9-20-8-7-19(10)13-11-3-5-18(2)6-4-12(11)16-14(15)17-13/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine?
4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine has a molecular weight of 296.80 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 91313217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).