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

C13H19N5O — CID 80983242

IUPAC5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCc2cc(C)on2)n1
InChIInChI=1S/C13H19N5O/c1-4-5-11-16-12(14)9(3)13(17-11)15-7-10-6-8(2)19-18-10/h6H,4-5,7H2,1-3H3,(H3,14,15,16,17)
InChIKeyPDYZNYQSCSPXTQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.23
Rot. Bonds5

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

5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80983242) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80983242
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCc2cc(C)on2)n1
InChIInChI=1S/C13H19N5O/c1-4-5-11-16-12(14)9(3)13(17-11)15-7-10-6-8(2)19-18-10/h6H,4-5,7H2,1-3H3,(H3,14,15,16,17)
InChIKeyPDYZNYQSCSPXTQ-UHFFFAOYSA-N
XLogP2.23
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982724
6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813482
3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
CID 102983976
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80983242) is 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCc2cc(C)on2)n1.
What is the InChIKey of 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is PDYZNYQSCSPXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-5-11-16-12(14)9(3)13(17-11)15-7-10-6-8(2)19-18-10/h6H,4-5,7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 261.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).