(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine

C11H18N4 — CID 83862863

IUPAC(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine
SMILESCc1nc(CN)c2c(n1)CCN(C)CC2
InChIInChI=1S/C11H18N4/c1-8-13-10-4-6-15(2)5-3-9(10)11(7-12)14-8/h3-7,12H2,1-2H3
InChIKeyFASXFMIJFRPARZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.27
Rot. Bonds1

About (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine

(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine (PubChem CID 83862863) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine.

Molecular Properties

Compound Name(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine
PubChem CID83862863
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine
SMILESCc1nc(CN)c2c(n1)CCN(C)CC2
InChIInChI=1S/C11H18N4/c1-8-13-10-4-6-15(2)5-3-9(10)11(7-12)14-8/h3-7,12H2,1-2H3
InChIKeyFASXFMIJFRPARZ-UHFFFAOYSA-N
XLogP0.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methanamine;hydrochloride
CID 55270015
(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine
CID 82391352
(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine
CID 83863642
3-[4-(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)piperazin-1-yl]propanamide
CID 50976523
[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine
CID 28904281
(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine
CID 112711134
ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 91352697
(2-methyl-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl)methanamine
CID 82414576
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 50955778
2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576457
4-(2-aminoethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 83859127
N,2,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 83862578

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine?
The IUPAC name of (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine (CID 83862863) is (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine.
What is the SMILES notation for (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine?
The canonical SMILES for (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine is Cc1nc(CN)c2c(n1)CCN(C)CC2.
What is the InChIKey of (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine?
The InChIKey is FASXFMIJFRPARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-13-10-4-6-15(2)5-3-9(10)11(7-12)14-8/h3-7,12H2,1-2H3.
What are the key properties of (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine?
(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine is sourced from PubChem (CID 83862863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).