N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine

C10H17N3 — CID 63318725

IUPACN-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
SMILESCCNCc1nccc(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-4-11-7-10-12-6-5-9(13-10)8(2)3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyDOTFOGCRIVMXKI-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.71
Rot. Bonds4

About N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine

N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine (PubChem CID 63318725) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
PubChem CID63318725
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
SMILESCCNCc1nccc(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-4-11-7-10-12-6-5-9(13-10)8(2)3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyDOTFOGCRIVMXKI-UHFFFAOYSA-N
XLogP1.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine (CID 63318725) is N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine is CCNCc1nccc(C(C)C)n1.
What is the InChIKey of N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine?
The InChIKey is DOTFOGCRIVMXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-11-7-10-12-6-5-9(13-10)8(2)3/h5-6,8,11H,4,7H2,1-3H3.
What are the key properties of N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine?
N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63318725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).