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

C13H19N5 — CID 114206474

IUPACN-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2cnn(C)c2)ncc1CNC(C)C
InChIInChI=1S/C13H19N5/c1-9(2)14-5-11-6-15-13(17-10(11)3)12-7-16-18(4)8-12/h6-9,14H,5H2,1-4H3
InChIKeyMZKBZJOHPGRNHR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds4

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

N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206474) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206474
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2cnn(C)c2)ncc1CNC(C)C
InChIInChI=1S/C13H19N5/c1-9(2)14-5-11-6-15-13(17-10(11)3)12-7-16-18(4)8-12/h6-9,14H,5H2,1-4H3
InChIKeyMZKBZJOHPGRNHR-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 155404865
N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 54980296
N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206488
2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 65197799
N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145453
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189716
N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62542707
N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83188313
N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
CID 83185167
2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65197740
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428
N-[[2-(1-methylpyrazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364134

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine (CID 114206474) is N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-c2cnn(C)c2)ncc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is MZKBZJOHPGRNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)14-5-11-6-15-13(17-10(11)3)12-7-16-18(4)8-12/h6-9,14H,5H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).