N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine

C14H20N4 — CID 116896598

IUPACN-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CNC)c1nc(C)cc(-c2ccc[nH]2)n1
InChIInChI=1S/C14H20N4/c1-4-11(9-15-3)14-17-10(2)8-13(18-14)12-6-5-7-16-12/h5-8,11,15-16H,4,9H2,1-3H3
InChIKeyJCLQUTVOHJLZFQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine

N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116896598) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine
PubChem CID116896598
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CNC)c1nc(C)cc(-c2ccc[nH]2)n1
InChIInChI=1S/C14H20N4/c1-4-11(9-15-3)14-17-10(2)8-13(18-14)12-6-5-7-16-12/h5-8,11,15-16H,4,9H2,1-3H3
InChIKeyJCLQUTVOHJLZFQ-UHFFFAOYSA-N
XLogP2.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
CID 116896599
2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine
CID 116896588
3-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butanoic acid
CID 116894215
N-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)butan-1-amine
CID 116896592
N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine
CID 116896609
2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341934
3-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]propanenitrile
CID 116895123
N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 104513360
N-methyl-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-amine
CID 116989560
4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893449
4-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butanoic acid
CID 116894140
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116896424

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine (CID 116896598) is N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine is CCC(CNC)c1nc(C)cc(-c2ccc[nH]2)n1.
What is the InChIKey of N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is JCLQUTVOHJLZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-11(9-15-3)14-17-10(2)8-13(18-14)12-6-5-7-16-12/h5-8,11,15-16H,4,9H2,1-3H3.
What are the key properties of N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine?
N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116896598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).