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

C9H15N3 — CID 63321476

IUPACN-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
SMILESCc1cnc(CNC(C)C)nc1
InChIInChI=1S/C9H15N3/c1-7(2)10-6-9-11-4-8(3)5-12-9/h4-5,7,10H,6H2,1-3H3
InChIKeyGPJISNUJMQIKKP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.28
Rot. Bonds3

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

N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine (PubChem CID 63321476) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
PubChem CID63321476
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
SMILESCc1cnc(CNC(C)C)nc1
InChIInChI=1S/C9H15N3/c1-7(2)10-6-9-11-4-8(3)5-12-9/h4-5,7,10H,6H2,1-3H3
InChIKeyGPJISNUJMQIKKP-UHFFFAOYSA-N
XLogP1.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 84666060
N-[(5-methylpyrimidin-2-yl)methyl]ethanamine
CID 63321145
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206828
N-[[2-(5-methylpyrimidin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365464
N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine
CID 63205925
N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 46784144
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 115347141
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265
N-[[3-chloro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-2-amine
CID 81160313
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 117193160

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine (CID 63321476) is N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine is Cc1cnc(CNC(C)C)nc1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine?
The InChIKey is GPJISNUJMQIKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)10-6-9-11-4-8(3)5-12-9/h4-5,7,10H,6H2,1-3H3.
What are the key properties of N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine?
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 63321476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).