6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine

C14H22ClN3O — CID 113400811

IUPAC6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NC2CCCCCC2)n1
InChIInChI=1S/C14H22ClN3O/c1-2-19-10-14-17-12(15)9-13(18-14)16-11-7-5-3-4-6-8-11/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyINMUODVILGOVQE-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.80
Rot. Bonds5

About 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine

6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine (PubChem CID 113400811) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
PubChem CID113400811
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NC2CCCCCC2)n1
InChIInChI=1S/C14H22ClN3O/c1-2-19-10-14-17-12(15)9-13(18-14)16-11-7-5-3-4-6-8-11/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyINMUODVILGOVQE-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400801
6-chloro-2-(ethoxymethyl)-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 113400931
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
6-chloro-N-cyclohexyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 113400782
3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137198
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
CID 106197293
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine (CID 113400811) is 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine is CCOCc1nc(Cl)cc(NC2CCCCCC2)n1.
What is the InChIKey of 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine?
The InChIKey is INMUODVILGOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-19-10-14-17-12(15)9-13(18-14)16-11-7-5-3-4-6-8-11/h9,11H,2-8,10H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine?
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113400811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).