N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine

C14H24N4 — CID 83186362

IUPACN-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCC(C)N(C)c1ncc(CNC2CC2)c(C)n1
InChIInChI=1S/C14H24N4/c1-5-10(2)18(4)14-16-9-12(11(3)17-14)8-15-13-6-7-13/h9-10,13,15H,5-8H2,1-4H3
InChIKeyHUXLNBRVUBBFCD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds6

About N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine

N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 83186362) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID83186362
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCC(C)N(C)c1ncc(CNC2CC2)c(C)n1
InChIInChI=1S/C14H24N4/c1-5-10(2)18(4)14-16-9-12(11(3)17-14)8-15-13-6-7-13/h9-10,13,15H,5-8H2,1-4H3
InChIKeyHUXLNBRVUBBFCD-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-4-methyl-N-propan-2-yl-N-propylpyrimidin-2-amine
CID 83185509
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine
CID 83186208
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine
CID 83186144
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83185706
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
CID 83179651
2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol
CID 104552865
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105388956
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 81246951

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine (CID 83186362) is N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine is CCC(C)N(C)c1ncc(CNC2CC2)c(C)n1.
What is the InChIKey of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is HUXLNBRVUBBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-10(2)18(4)14-16-9-12(11(3)17-14)8-15-13-6-7-13/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine?
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83186362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).