6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine

C10H15ClN4O — CID 59374557

IUPAC6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)c(N)c(NC2CCOCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-6-13-9(11)8(12)10(14-6)15-7-2-4-16-5-3-7/h7H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyFAYJZRRSCSYKBJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.61
Rot. Bonds2

About 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine

6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine (PubChem CID 59374557) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine
PubChem CID59374557
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)c(N)c(NC2CCOCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-6-13-9(11)8(12)10(14-6)15-7-2-4-16-5-3-7/h7H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyFAYJZRRSCSYKBJ-UHFFFAOYSA-N
XLogP1.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine (CID 59374557) is 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine is Cc1nc(Cl)c(N)c(NC2CCOCC2)n1.
What is the InChIKey of 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine?
The InChIKey is FAYJZRRSCSYKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-13-9(11)8(12)10(14-6)15-7-2-4-16-5-3-7/h7H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine?
6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine has a molecular weight of 242.71 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 59374557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).