N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine

C15H27N3 — CID 114206828

IUPACN-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1ncc(CNC(C)C)c(C(C)C)n1
InChIInChI=1S/C15H27N3/c1-10(2)7-14-17-9-13(8-16-12(5)6)15(18-14)11(3)4/h9-12,16H,7-8H2,1-6H3
InChIKeyDFXOUONNMVBHJM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.30
Rot. Bonds6

About N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206828) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206828
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1ncc(CNC(C)C)c(C(C)C)n1
InChIInChI=1S/C15H27N3/c1-10(2)7-14-17-9-13(8-16-12(5)6)15(18-14)11(3)4/h9-12,16H,7-8H2,1-6H3
InChIKeyDFXOUONNMVBHJM-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
CID 53385528
N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206730
N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206739
N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206812
methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate
CID 117225349
2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 84666060
5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206901
1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine (CID 114206828) is N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine is CC(C)Cc1ncc(CNC(C)C)c(C(C)C)n1.
What is the InChIKey of N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is DFXOUONNMVBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(2)7-14-17-9-13(8-16-12(5)6)15(18-14)11(3)4/h9-12,16H,7-8H2,1-6H3.
What are the key properties of N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).