N-cycloheptyl-4-ethoxypyrimidin-2-amine

C13H21N3O — CID 112636626

IUPACN-cycloheptyl-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-2-17-12-9-10-14-13(16-12)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,14,15,16)
InChIKeyATUVVMLZSSKCKR-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds4

About N-cycloheptyl-4-ethoxypyrimidin-2-amine

N-cycloheptyl-4-ethoxypyrimidin-2-amine (PubChem CID 112636626) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cycloheptyl-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-ethoxypyrimidin-2-amine
PubChem CID112636626
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cycloheptyl-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-2-17-12-9-10-14-13(16-12)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,14,15,16)
InChIKeyATUVVMLZSSKCKR-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
3-[(4-ethoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 112636158
4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 146105827
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
4-cyclohexyloxy-N-ethylpyrimidin-2-amine
CID 80858273
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-cycloheptyl-4-ethoxypyrimidin-2-amine (CID 112636626) is N-cycloheptyl-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-cycloheptyl-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-cycloheptyl-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-4-ethoxypyrimidin-2-amine?
The InChIKey is ATUVVMLZSSKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-17-12-9-10-14-13(16-12)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-cycloheptyl-4-ethoxypyrimidin-2-amine?
N-cycloheptyl-4-ethoxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112636626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).