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

C9H10ClN5O — CID 103718695

IUPAC6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(CNc2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C9H10ClN5O/c1-5-3-13-8(16-5)4-12-7-2-6(10)14-9(11)15-7/h2-3H,4H2,1H3,(H3,11,12,14,15)
InChIKeyIQYNNEWWMAZCRR-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.62
Rot. Bonds3

About 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 103718695) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID103718695
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(CNc2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C9H10ClN5O/c1-5-3-13-8(16-5)4-12-7-2-6(10)14-9(11)15-7/h2-3H,4H2,1H3,(H3,11,12,14,15)
InChIKeyIQYNNEWWMAZCRR-UHFFFAOYSA-N
XLogP1.62
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 103718695) is 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1cnc(CNc2cc(Cl)nc(N)n2)o1.
What is the InChIKey of 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is IQYNNEWWMAZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-5-3-13-8(16-5)4-12-7-2-6(10)14-9(11)15-7/h2-3H,4H2,1H3,(H3,11,12,14,15).
What are the key properties of 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 239.67 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 103718695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).