1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine

C13H22N4O2 — CID 115355322

IUPAC1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
SMILESCOc1cc(OC)nc(NC2CCCCCC2N)n1
InChIInChI=1S/C13H22N4O2/c1-18-11-8-12(19-2)17-13(16-11)15-10-7-5-3-4-6-9(10)14/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyMRCQSHNHEAIPQQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.57
Rot. Bonds4

About 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine

1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine (PubChem CID 115355322) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
PubChem CID115355322
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
SMILESCOc1cc(OC)nc(NC2CCCCCC2N)n1
InChIInChI=1S/C13H22N4O2/c1-18-11-8-12(19-2)17-13(16-11)15-10-7-5-3-4-6-9(10)14/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyMRCQSHNHEAIPQQ-UHFFFAOYSA-N
XLogP1.57
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
CID 62861608
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
trans-(1R,2R)-2-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1,2-diamine
CID 97162819
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355152
[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentyl]methanol
CID 113243952
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552420
(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
CID 91771624
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine
CID 115354965

Frequently Asked Questions

What is the IUPAC name of 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine?
The IUPAC name of 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine (CID 115355322) is 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine?
The canonical SMILES for 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine is COc1cc(OC)nc(NC2CCCCCC2N)n1.
What is the InChIKey of 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine?
The InChIKey is MRCQSHNHEAIPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-11-8-12(19-2)17-13(16-11)15-10-7-5-3-4-6-9(10)14/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine?
1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine has a molecular weight of 266.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine is sourced from PubChem (CID 115355322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).