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

C18H25N5 — CID 119127313

IUPACN-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2ccc(C)cc2)ncn1
InChIInChI=1S/C18H25N5/c1-14-5-7-15(8-6-14)11-20-12-16-4-3-9-23(16)18-10-17(19-2)21-13-22-18/h5-8,10,13,16,20H,3-4,9,11-12H2,1-2H3,(H,19,21,22)
InChIKeyBSCHGOPMIRWRAW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.59
Rot. Bonds6

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

N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 119127313) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID119127313
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2ccc(C)cc2)ncn1
InChIInChI=1S/C18H25N5/c1-14-5-7-15(8-6-14)11-20-12-16-4-3-9-23(16)18-10-17(19-2)21-13-22-18/h5-8,10,13,16,20H,3-4,9,11-12H2,1-2H3,(H,19,21,22)
InChIKeyBSCHGOPMIRWRAW-UHFFFAOYSA-N
XLogP2.59
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124046
6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127231
6-[(2R)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 95764401
6-[2-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127288
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[(2S)-2-[[(2,3-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554025
N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 129377193
6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127257
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 119127313) is N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC2CNCc2ccc(C)cc2)ncn1.
What is the InChIKey of N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is BSCHGOPMIRWRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-5-7-15(8-6-14)11-20-12-16-4-3-9-23(16)18-10-17(19-2)21-13-22-18/h5-8,10,13,16,20H,3-4,9,11-12H2,1-2H3,(H,19,21,22).
What are the key properties of N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 119127313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).