N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine

C14H22N4O — CID 134073579

IUPACN,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
SMILESCN(C)c1ncnc2c1CCN(C1CCOC1)CC2
InChIInChI=1S/C14H22N4O/c1-17(2)14-12-3-6-18(11-5-8-19-9-11)7-4-13(12)15-10-16-14/h10-11H,3-9H2,1-2H3
InChIKeyVWEQSANXAPYEOY-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.73
Rot. Bonds2

About N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine

N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine (PubChem CID 134073579) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
PubChem CID134073579
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
SMILESCN(C)c1ncnc2c1CCN(C1CCOC1)CC2
InChIInChI=1S/C14H22N4O/c1-17(2)14-12-3-6-18(11-5-8-19-9-11)7-4-13(12)15-10-16-14/h10-11H,3-9H2,1-2H3
InChIKeyVWEQSANXAPYEOY-UHFFFAOYSA-N
XLogP0.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-7-(oxan-4-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine;2,2,2-trifluoroacetic acid
CID 155857079
N-methyl-N-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82739319
1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 125154757
4-[(3S)-oxolan-3-yl]-7-pyrimidin-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381312
4-(4-cyclohexylpiperazin-1-yl)-7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 143595343
2-methyl-7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97389786
N-[1-(oxolan-3-yl)piperidin-4-ylidene]hydroxylamine
CID 63558761
[4-(dimethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(3-fluorocyclobutyl)methanone;2,2,2-trifluoroacetic acid
CID 155867262
[4-(dimethylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(oxolan-3-yl)methanone
CID 131650933
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588
N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 102637593
(4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-(oxolan-3-yl)methanone
CID 131638653

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The IUPAC name of N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine (CID 134073579) is N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine.
What is the SMILES notation for N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The canonical SMILES for N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine is CN(C)c1ncnc2c1CCN(C1CCOC1)CC2.
What is the InChIKey of N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
The InChIKey is VWEQSANXAPYEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)14-12-3-6-18(11-5-8-19-9-11)7-4-13(12)15-10-16-14/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine?
N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 134073579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).