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

C14H12ClN5O — CID 71996201

IUPAC6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C14H12ClN5O/c15-11-6-12(20-14(16)19-11)17-7-10-8-21-13(18-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,16,17,19,20)
InChIKeyJXKSGXFHHJPZPK-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.98
Rot. Bonds4

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

6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 71996201) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID71996201
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C14H12ClN5O/c15-11-6-12(20-14(16)19-11)17-7-10-8-21-13(18-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,16,17,19,20)
InChIKeyJXKSGXFHHJPZPK-UHFFFAOYSA-N
XLogP2.98
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133464678
2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133402371
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
2-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 45193824
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 47280465
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553678
3-chloro-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 43305073

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 71996201) is 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCc2coc(-c3ccccc3)n2)n1.
What is the InChIKey of 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is JXKSGXFHHJPZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-11-6-12(20-14(16)19-11)17-7-10-8-21-13(18-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,16,17,19,20).
What are the key properties of 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 301.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71996201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).