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

C12H18N6O — CID 80813355

IUPAC6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1nc(C)no1
InChIInChI=1S/C12H18N6O/c1-4-5-9-11(13-3)15-7-16-12(9)14-6-10-17-8(2)18-19-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyZUWZQDLHECUCEO-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.77
Rot. Bonds6

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

6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80813355) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80813355
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1nc(C)no1
InChIInChI=1S/C12H18N6O/c1-4-5-9-11(13-3)15-7-16-12(9)14-6-10-17-8(2)18-19-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyZUWZQDLHECUCEO-UHFFFAOYSA-N
XLogP1.77
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propylpyrimidin-4-amine
CID 61240534
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80814068
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80821940
6-N-ethyl-5-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106424403
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
6-chloro-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80971966
5-ethyl-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106424754

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine (CID 80813355) is 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCc1nc(C)no1.
What is the InChIKey of 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is ZUWZQDLHECUCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-5-9-11(13-3)15-7-16-12(9)14-6-10-17-8(2)18-19-10/h7H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80813355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).