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

C10H12ClN5O — CID 106369962

IUPAC2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1nc(CNc2nc(Cl)ncc2N)oc1C
InChIInChI=1S/C10H12ClN5O/c1-5-6(2)17-8(15-5)4-13-9-7(12)3-14-10(11)16-9/h3H,4,12H2,1-2H3,(H,13,14,16)
InChIKeyPYBSMEHXFQLTEN-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.93
Rot. Bonds3

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

2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 106369962) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
PubChem CID106369962
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1nc(CNc2nc(Cl)ncc2N)oc1C
InChIInChI=1S/C10H12ClN5O/c1-5-6(2)17-8(15-5)4-13-9-7(12)3-14-10(11)16-9/h3H,4,12H2,1-2H3,(H,13,14,16)
InChIKeyPYBSMEHXFQLTEN-UHFFFAOYSA-N
XLogP1.93
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 114181130
2-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
CID 106369366
2-chloro-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,5-diamine
CID 106393374
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 106378852
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrazin-2-amine
CID 107268510
3,5-dichloro-6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378906
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 106378791
3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
CID 106374028
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine
CID 106369899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine (CID 106369962) is 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine is Cc1nc(CNc2nc(Cl)ncc2N)oc1C.
What is the InChIKey of 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is PYBSMEHXFQLTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-5-6(2)17-8(15-5)4-13-9-7(12)3-14-10(11)16-9/h3H,4,12H2,1-2H3,(H,13,14,16).
What are the key properties of 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 253.69 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 106369962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).