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

C12H15N5 — CID 55114824

IUPACN-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C12H15N5/c1-9(2)16-8-10-4-7-15-12(17-10)11-13-5-3-6-14-11/h3-7,9,16H,8H2,1-2H3
InChIKeyCCLJIXJEZKJDGU-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.43
Rot. Bonds4

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

N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine (PubChem CID 55114824) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
PubChem CID55114824
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C12H15N5/c1-9(2)16-8-10-4-7-15-12(17-10)11-13-5-3-6-14-11/h3-7,9,16H,8H2,1-2H3
InChIKeyCCLJIXJEZKJDGU-UHFFFAOYSA-N
XLogP1.43
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747932
N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 113455494
N-[[2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62749520
N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine
CID 130113665
N-[[2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 106849745
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine
CID 116898565
N-[[2-(butan-2-ylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65141143
N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65402599
N-[[2-(2-methylcyclopropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65421319
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
methyl (2S)-2-[(2-phenylpyrimidin-4-yl)methylamino]propanoate
CID 167991231

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine (CID 55114824) is N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine is CC(C)NCc1ccnc(-c2ncccn2)n1.
What is the InChIKey of N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The InChIKey is CCLJIXJEZKJDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9(2)16-8-10-4-7-15-12(17-10)11-13-5-3-6-14-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 55114824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).