6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

C11H16ClN3O — CID 80936100

IUPAC6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC2CCOC2)n1
InChIInChI=1S/C11H16ClN3O/c1-2-10-14-9(12)5-11(15-10)13-6-8-3-4-16-7-8/h5,8H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyKWPABGGXNIZZAE-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.14
Rot. Bonds4

About 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80936100) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID80936100
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC2CCOC2)n1
InChIInChI=1S/C11H16ClN3O/c1-2-10-14-9(12)5-11(15-10)13-6-8-3-4-16-7-8/h5,8H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyKWPABGGXNIZZAE-UHFFFAOYSA-N
XLogP2.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553
6-chloro-2-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80935978
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
6-chloro-2-methylsulfanyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80546827
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine
CID 114156920
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 80936100) is 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is CCc1nc(Cl)cc(NCC2CCOC2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KWPABGGXNIZZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-10-14-9(12)5-11(15-10)13-6-8-3-4-16-7-8/h5,8H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80936100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).