6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine

C10H14ClN3O — CID 61279787

IUPAC6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCN(c1cc(Cl)ncn1)C1CCOCC1
InChIInChI=1S/C10H14ClN3O/c1-14(8-2-4-15-5-3-8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKeySJZYHMTUSANOLF-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.75
Rot. Bonds2

About 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine

6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 61279787) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID61279787
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCN(c1cc(Cl)ncn1)C1CCOCC1
InChIInChI=1S/C10H14ClN3O/c1-14(8-2-4-15-5-3-8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKeySJZYHMTUSANOLF-UHFFFAOYSA-N
XLogP1.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 61279787) is 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine is CN(c1cc(Cl)ncn1)C1CCOCC1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is SJZYHMTUSANOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14(8-2-4-15-5-3-8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 61279787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).