N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine

C13H19N5 — CID 114221125

IUPACN-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-n2cc(C)cn2)n1
InChIInChI=1S/C13H19N5/c1-4-5-14-8-12-6-11(3)16-13(17-12)18-9-10(2)7-15-18/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyMSYVZMYADVQVFS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds5

About N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine

N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 114221125) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID114221125
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-n2cc(C)cn2)n1
InChIInChI=1S/C13H19N5/c1-4-5-14-8-12-6-11(3)16-13(17-12)18-9-10(2)7-15-18/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyMSYVZMYADVQVFS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62294737
4-(chloromethyl)-2-(4-chloropyrazol-1-yl)-6-methylpyrimidine
CID 130485780
4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80840806
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922
2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80852989
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815
N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]propan-1-amine
CID 62275974
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 114221160
N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 65141247

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine (CID 114221125) is N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1cc(C)nc(-n2cc(C)cn2)n1.
What is the InChIKey of N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is MSYVZMYADVQVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-5-14-8-12-6-11(3)16-13(17-12)18-9-10(2)7-15-18/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114221125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).