5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine

C8H10ClN3O — CID 90249306

IUPAC5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCc1ncnc(NC2COC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c1-5-7(9)8(11-4-10-5)12-6-2-13-3-6/h4,6H,2-3H2,1H3,(H,10,11,12)
InChIKeyNTWZBLGOWWJJBV-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.25
Rot. Bonds2

About 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine

5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine (PubChem CID 90249306) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
PubChem CID90249306
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCc1ncnc(NC2COC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c1-5-7(9)8(11-4-10-5)12-6-2-13-3-6/h4,6H,2-3H2,1H3,(H,10,11,12)
InChIKeyNTWZBLGOWWJJBV-UHFFFAOYSA-N
XLogP1.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine (CID 90249306) is 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine is Cc1ncnc(NC2COC2)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The InChIKey is NTWZBLGOWWJJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-5-7(9)8(11-4-10-5)12-6-2-13-3-6/h4,6H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine has a molecular weight of 199.64 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 90249306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).