4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine

C12H18N6O — CID 80814394

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2cc(C)on2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-3-4-14-10-6-11(17-12(13)16-10)15-7-9-5-8(2)19-18-9/h5-6H,3-4,7H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyOOBDLKPNKOMDIO-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.79
Rot. Bonds6

About 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80814394) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80814394
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2cc(C)on2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-3-4-14-10-6-11(17-12(13)16-10)15-7-9-5-8(2)19-18-9/h5-6H,3-4,7H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyOOBDLKPNKOMDIO-UHFFFAOYSA-N
XLogP1.79
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80903751
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80842748
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
CID 104924020
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80812985
2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80958301
6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80777060
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
4-N-[(4-methylthiophen-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80852357
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80814394) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCc2cc(C)on2)nc(N)n1.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is OOBDLKPNKOMDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-4-14-10-6-11(17-12(13)16-10)15-7-9-5-8(2)19-18-9/h5-6H,3-4,7H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 262.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80814394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).