2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine

C14H24N4 — CID 116898480

IUPAC2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
SMILESCN1CCC(c2ccnc(CCC(C)(C)N)n2)C1
InChIInChI=1S/C14H24N4/c1-14(2,15)7-4-13-16-8-5-12(17-13)11-6-9-18(3)10-11/h5,8,11H,4,6-7,9-10,15H2,1-3H3
InChIKeyKYBIWTVPBYEULE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine

2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine (PubChem CID 116898480) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
PubChem CID116898480
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
SMILESCN1CCC(c2ccnc(CCC(C)(C)N)n2)C1
InChIInChI=1S/C14H24N4/c1-14(2,15)7-4-13-16-8-5-12(17-13)11-6-9-18(3)10-11/h5,8,11H,4,6-7,9-10,15H2,1-3H3
InChIKeyKYBIWTVPBYEULE-UHFFFAOYSA-N
XLogP1.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-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

2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888539
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 116898933
[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
CID 116899105
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
CID 116898451
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butanoic acid
CID 116899990
[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol
CID 116902950
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine (CID 116898480) is 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine is CN1CCC(c2ccnc(CCC(C)(C)N)n2)C1.
What is the InChIKey of 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine?
The InChIKey is KYBIWTVPBYEULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(2,15)7-4-13-16-8-5-12(17-13)11-6-9-18(3)10-11/h5,8,11H,4,6-7,9-10,15H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine?
2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine is sourced from PubChem (CID 116898480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).