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

C15H23N5O — CID 80793516

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2cc(C)on2)c1C(C)C
InChIInChI=1S/C15H23N5O/c1-5-6-16-14-13(10(2)3)15(19-9-18-14)17-8-12-7-11(4)21-20-12/h7,9-10H,5-6,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyDVQFDTKUIIYYLT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.33
Rot. Bonds7

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

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80793516) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80793516
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2cc(C)on2)c1C(C)C
InChIInChI=1S/C15H23N5O/c1-5-6-16-14-13(10(2)3)15(19-9-18-14)17-8-12-7-11(4)21-20-12/h7,9-10H,5-6,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyDVQFDTKUIIYYLT-UHFFFAOYSA-N
XLogP3.33
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813211
4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792368
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
CID 63730016
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808040
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805111
6-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101050
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80793516) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCc2cc(C)on2)c1C(C)C.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DVQFDTKUIIYYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-6-16-14-13(10(2)3)15(19-9-18-14)17-8-12-7-11(4)21-20-12/h7,9-10H,5-6,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 289.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80793516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).