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

C15H23N5O — CID 106378655

IUPAC4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ncc(C)o2)c1CCC
InChIInChI=1S/C15H23N5O/c1-4-6-12-14(16-7-5-2)19-10-20-15(12)18-9-13-17-8-11(3)21-13/h8,10H,4-7,9H2,1-3H3,(H2,16,18,19,20)
InChIKeyWZNOQWKBTITREQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.16
Rot. Bonds8

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

4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 106378655) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID106378655
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ncc(C)o2)c1CCC
InChIInChI=1S/C15H23N5O/c1-4-6-12-14(16-7-5-2)19-10-20-15(12)18-9-13-17-8-11(3)21-13/h8,10H,4-7,9H2,1-3H3,(H2,16,18,19,20)
InChIKeyWZNOQWKBTITREQ-UHFFFAOYSA-N
XLogP3.16
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-N-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106378719
6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106378740
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
6-N,2-diethyl-5-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378700
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80813355
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 82873155
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
CID 106378568

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine (CID 106378655) is 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NCc2ncc(C)o2)c1CCC.
What is the InChIKey of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is WZNOQWKBTITREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-6-12-14(16-7-5-2)19-10-20-15(12)18-9-13-17-8-11(3)21-13/h8,10H,4-7,9H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 289.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 106378655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).