N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine

C14H20N4 — CID 116896599

IUPACN-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CNC)c1nc(C)cc(-c2cc[nH]c2)n1
InChIInChI=1S/C14H20N4/c1-4-11(8-15-3)14-17-10(2)7-13(18-14)12-5-6-16-9-12/h5-7,9,11,15-16H,4,8H2,1-3H3
InChIKeyQVXJXDCOEWAPMM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine

N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116896599) 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-3-yl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
PubChem CID116896599
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CNC)c1nc(C)cc(-c2cc[nH]c2)n1
InChIInChI=1S/C14H20N4/c1-4-11(8-15-3)14-17-10(2)7-13(18-14)12-5-6-16-9-12/h5-7,9,11,15-16H,4,8H2,1-3H3
InChIKeyQVXJXDCOEWAPMM-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine (CID 116896599) is N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine is CCC(CNC)c1nc(C)cc(-c2cc[nH]c2)n1.
What is the InChIKey of N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is QVXJXDCOEWAPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-11(8-15-3)14-17-10(2)7-13(18-14)12-5-6-16-9-12/h5-7,9,11,15-16H,4,8H2,1-3H3.
What are the key properties of N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine?
N-methyl-2-[4-methyl-6-(1H-pyrrol-3-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-3-yl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116896599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).