5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine

C10H14ClN3O — CID 103889202

IUPAC5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(Cl)cn2)CCO1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(2-3-15-7)14-10-12-5-8(11)6-13-10/h5-7,9H,2-4H2,1H3,(H,12,13,14)
InChIKeyINJSTGXIMKJQRI-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.11
Rot. Bonds2

About 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine

5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine (PubChem CID 103889202) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine
PubChem CID103889202
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(Cl)cn2)CCO1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(2-3-15-7)14-10-12-5-8(11)6-13-10/h5-7,9H,2-4H2,1H3,(H,12,13,14)
InChIKeyINJSTGXIMKJQRI-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine
CID 104844272
5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
CID 79557581
3,6-dimethyl-N-(2-methyloxan-4-yl)pyrazin-2-amine
CID 104695678
6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine
CID 103946830
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
CID 97253924
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
5-methyl-N-(2-methyloxan-4-yl)pyridin-3-amine
CID 103932319
N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 114108395
4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine
CID 155222929
2-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 103889221
3-fluoro-N-[(2S,4S)-2-methyloxan-4-yl]pyridin-2-amine
CID 129411560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine (CID 103889202) is 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine is CC1CC(Nc2ncc(Cl)cn2)CCO1.
What is the InChIKey of 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
The InChIKey is INJSTGXIMKJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-9(2-3-15-7)14-10-12-5-8(11)6-13-10/h5-7,9H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine?
5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 103889202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).