2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine

C12H21N3 — CID 62755700

IUPAC2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
SMILESCCCc1ncc(CNC(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-5-6-11-13-7-10(8-14-11)9-15-12(2,3)4/h7-8,15H,5-6,9H2,1-4H3
InChIKeyNBXYZTVVWPVUNZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine

2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine (PubChem CID 62755700) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
PubChem CID62755700
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
SMILESCCCc1ncc(CNC(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-5-6-11-13-7-10(8-14-11)9-15-12(2,3)4/h7-8,15H,5-6,9H2,1-4H3
InChIKeyNBXYZTVVWPVUNZ-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine (CID 62755700) is 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine is CCCc1ncc(CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine?
The InChIKey is NBXYZTVVWPVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-11-13-7-10(8-14-11)9-15-12(2,3)4/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine?
2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 62755700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).