5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

C10H12ClN5O — CID 80813779

IUPAC5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2cc(C)on2)n1
InChIInChI=1S/C10H12ClN5O/c1-6-3-7(16-17-6)4-13-9-8(11)5-14-10(12-2)15-9/h3,5H,4H2,1-2H3,(H2,12,13,14,15)
InChIKeyAQJFHWKXHANTOU-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.08
Rot. Bonds4

About 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80813779) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80813779
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2cc(C)on2)n1
InChIInChI=1S/C10H12ClN5O/c1-6-3-7(16-17-6)4-13-9-8(11)5-14-10(12-2)15-9/h3,5H,4H2,1-2H3,(H2,12,13,14,15)
InChIKeyAQJFHWKXHANTOU-UHFFFAOYSA-N
XLogP2.08
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 80813779) is 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NCc2cc(C)on2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AQJFHWKXHANTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6-3-7(16-17-6)4-13-9-8(11)5-14-10(12-2)15-9/h3,5H,4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 253.69 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80813779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).