2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine

C13H18N4O — CID 116974395

IUPAC2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCc1ccc(-c2cnc(NCC(C)(C)N)nc2)o1
InChIInChI=1S/C13H18N4O/c1-9-4-5-11(18-9)10-6-15-12(16-7-10)17-8-13(2,3)14/h4-7H,8,14H2,1-3H3,(H,15,16,17)
InChIKeyZLZSXXVXUOAMCF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine

2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine (PubChem CID 116974395) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine
PubChem CID116974395
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCc1ccc(-c2cnc(NCC(C)(C)N)nc2)o1
InChIInChI=1S/C13H18N4O/c1-9-4-5-11(18-9)10-6-15-12(16-7-10)17-8-13(2,3)14/h4-7H,8,14H2,1-3H3,(H,15,16,17)
InChIKeyZLZSXXVXUOAMCF-UHFFFAOYSA-N
XLogP2.19
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
CID 116975894
1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974564
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
CID 116975077
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propanenitrile
CID 116975727
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977334
2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 116976142
2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 116974601
4-(5-methylfuran-2-yl)pyridine
CID 15721829
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976731
2-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116892858
1-[(4-amino-5-nitropyrimidin-2-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine (CID 116974395) is 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine is Cc1ccc(-c2cnc(NCC(C)(C)N)nc2)o1.
What is the InChIKey of 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is ZLZSXXVXUOAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-4-5-11(18-9)10-6-15-12(16-7-10)17-8-13(2,3)14/h4-7H,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 116974395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).