N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine

C19H27N5 — CID 110092348

IUPACN-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNCc1cc(NC)nc(C2CCCN2Cc2ccccc2C)n1
InChIInChI=1S/C19H27N5/c1-14-7-4-5-8-15(14)13-24-10-6-9-17(24)19-22-16(12-20-2)11-18(21-3)23-19/h4-5,7-8,11,17,20H,6,9-10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyHLNIEHCTRPBAMS-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.88
Rot. Bonds6

About N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine

N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 110092348) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID110092348
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNCc1cc(NC)nc(C2CCCN2Cc2ccccc2C)n1
InChIInChI=1S/C19H27N5/c1-14-7-4-5-8-15(14)13-24-10-6-9-17(24)19-22-16(12-20-2)11-18(21-3)23-19/h4-5,7-8,11,17,20H,6,9-10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyHLNIEHCTRPBAMS-UHFFFAOYSA-N
XLogP2.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine (CID 110092348) is N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine is CNCc1cc(NC)nc(C2CCCN2Cc2ccccc2C)n1.
What is the InChIKey of N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is HLNIEHCTRPBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-14-7-4-5-8-15(14)13-24-10-6-9-17(24)19-22-16(12-20-2)11-18(21-3)23-19/h4-5,7-8,11,17,20H,6,9-10,12-13H2,1-3H3,(H,21,22,23).
What are the key properties of N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine?
N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 110092348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).