N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine

C13H19N5 — CID 56918228

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCC(C)c1nccc(CN(C)Cc2ncc[nH]2)n1
InChIInChI=1S/C13H19N5/c1-10(2)13-16-5-4-11(17-13)8-18(3)9-12-14-6-7-15-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyMBEBZZQSWCLLJI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.96
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine (PubChem CID 56918228) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
PubChem CID56918228
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCC(C)c1nccc(CN(C)Cc2ncc[nH]2)n1
InChIInChI=1S/C13H19N5/c1-10(2)13-16-5-4-11(17-13)8-18(3)9-12-14-6-7-15-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyMBEBZZQSWCLLJI-UHFFFAOYSA-N
XLogP1.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine (CID 56918228) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine is CC(C)c1nccc(CN(C)Cc2ncc[nH]2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
The InChIKey is MBEBZZQSWCLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)13-16-5-4-11(17-13)8-18(3)9-12-14-6-7-15-12/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 56918228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).