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

C10H12ClN5O — CID 106369356

IUPAC6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCCc1cnc(CNc2ncnc(Cl)c2N)o1
InChIInChI=1S/C10H12ClN5O/c1-2-6-3-13-7(17-6)4-14-10-8(12)9(11)15-5-16-10/h3,5H,2,4,12H2,1H3,(H,14,15,16)
InChIKeyGJTYGHWCDRHUTF-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.87
Rot. Bonds4

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

6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 106369356) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
PubChem CID106369356
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCCc1cnc(CNc2ncnc(Cl)c2N)o1
InChIInChI=1S/C10H12ClN5O/c1-2-6-3-13-7(17-6)4-14-10-8(12)9(11)15-5-16-10/h3,5H,2,4,12H2,1H3,(H,14,15,16)
InChIKeyGJTYGHWCDRHUTF-UHFFFAOYSA-N
XLogP1.87
TPSA89.86 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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
2-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
CID 106369366
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
CID 114180765
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine (CID 106369356) is 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine is CCc1cnc(CNc2ncnc(Cl)c2N)o1.
What is the InChIKey of 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is GJTYGHWCDRHUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-2-6-3-13-7(17-6)4-14-10-8(12)9(11)15-5-16-10/h3,5H,2,4,12H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 253.69 g/mol, XLogP of 1.87, 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-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 106369356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).