[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine

C16H20N4 — CID 116899105

IUPAC[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
SMILESCN1CCC(c2ccnc(-c3ccc(CN)cc3)n2)C1
InChIInChI=1S/C16H20N4/c1-20-9-7-14(11-20)15-6-8-18-16(19-15)13-4-2-12(10-17)3-5-13/h2-6,8,14H,7,9-11,17H2,1H3
InChIKeyIWYKEJFKYQTHPG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.02
Rot. Bonds3

About [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine

[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine (PubChem CID 116899105) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
PubChem CID116899105
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
SMILESCN1CCC(c2ccnc(-c3ccc(CN)cc3)n2)C1
InChIInChI=1S/C16H20N4/c1-20-9-7-14(11-20)15-6-8-18-16(19-15)13-4-2-12(10-17)3-5-13/h2-6,8,14H,7,9-11,17H2,1H3
InChIKeyIWYKEJFKYQTHPG-UHFFFAOYSA-N
XLogP2.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117128776
2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898480
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 116898933
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054
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
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705
2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 82473927
1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 53137653

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine (CID 116899105) is [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine is CN1CCC(c2ccnc(-c3ccc(CN)cc3)n2)C1.
What is the InChIKey of [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine?
The InChIKey is IWYKEJFKYQTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20-9-7-14(11-20)15-6-8-18-16(19-15)13-4-2-12(10-17)3-5-13/h2-6,8,14H,7,9-11,17H2,1H3.
What are the key properties of [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine?
[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine is sourced from PubChem (CID 116899105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).