2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine

C13H19N5 — CID 65197740

IUPAC2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H19N5/c1-10(2)4-14-5-11-6-15-13(16-7-11)12-8-17-18(3)9-12/h6-10,14H,4-5H2,1-3H3
InChIKeyPBAHELTZNHMTQO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.62
Rot. Bonds5

About 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine

2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 65197740) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID65197740
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H19N5/c1-10(2)4-14-5-11-6-15-13(16-7-11)12-8-17-18(3)9-12/h6-10,14H,4-5H2,1-3H3
InChIKeyPBAHELTZNHMTQO-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 106670519
2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388292
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 116793496
N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206474
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388089
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 65197740) is 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(-c2cnn(C)c2)nc1.
What is the InChIKey of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is PBAHELTZNHMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)4-14-5-11-6-15-13(16-7-11)12-8-17-18(3)9-12/h6-10,14H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65197740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).