2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine

C12H21N3 — CID 116898246

IUPAC2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
SMILESCC(C)Cc1ccnc(CC(C)CN)n1
InChIInChI=1S/C12H21N3/c1-9(2)6-11-4-5-14-12(15-11)7-10(3)8-13/h4-5,9-10H,6-8,13H2,1-3H3
InChIKeyBWTHWTJJRSVONO-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine

2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine (PubChem CID 116898246) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
PubChem CID116898246
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
SMILESCC(C)Cc1ccnc(CC(C)CN)n1
InChIInChI=1S/C12H21N3/c1-9(2)6-11-4-5-14-12(15-11)7-10(3)8-13/h4-5,9-10H,6-8,13H2,1-3H3
InChIKeyBWTHWTJJRSVONO-UHFFFAOYSA-N
XLogP1.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
CID 116898247
[2-(2-methylpropyl)pyrimidin-4-yl]methanol
CID 62747781
2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol
CID 116902221
3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116898266
4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine
CID 158767340
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293
2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747761
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
CID 62745394
2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine (CID 116898246) is 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine is CC(C)Cc1ccnc(CC(C)CN)n1.
What is the InChIKey of 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is BWTHWTJJRSVONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)6-11-4-5-14-12(15-11)7-10(3)8-13/h4-5,9-10H,6-8,13H2,1-3H3.
What are the key properties of 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine?
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116898246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).