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

C19H25N7 — CID 129377193

IUPACN-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@@H]2CNCc2nc3ccccc3n2C)ncn1
InChIInChI=1S/C19H25N7/c1-20-17-10-18(23-13-22-17)26-9-5-6-14(26)11-21-12-19-24-15-7-3-4-8-16(15)25(19)2/h3-4,7-8,10,13-14,21H,5-6,9,11-12H2,1-2H3,(H,20,22,23)/t14-/m1/s1
InChIKeyGFZQFAHBZAGTLZ-CQSZACIVSA-N
MW351.46 g/mol
LogP2.16
Rot. Bonds6

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

N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 129377193) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID129377193
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC NameN-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@@H]2CNCc2nc3ccccc3n2C)ncn1
InChIInChI=1S/C19H25N7/c1-20-17-10-18(23-13-22-17)26-9-5-6-14(26)11-21-12-19-24-15-7-3-4-8-16(15)25(19)2/h3-4,7-8,10,13-14,21H,5-6,9,11-12H2,1-2H3,(H,20,22,23)/t14-/m1/s1
InChIKeyGFZQFAHBZAGTLZ-CQSZACIVSA-N
XLogP2.16
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124046
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
6-[(2R)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 95764401
6-[(2S)-2-[[(2,3-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554025
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127231
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
6-[2-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127288

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 129377193) is N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCC[C@@H]2CNCc2nc3ccccc3n2C)ncn1.
What is the InChIKey of N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is GFZQFAHBZAGTLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N7/c1-20-17-10-18(23-13-22-17)26-9-5-6-14(26)11-21-12-19-24-15-7-3-4-8-16(15)25(19)2/h3-4,7-8,10,13-14,21H,5-6,9,11-12H2,1-2H3,(H,20,22,23)/t14-/m1/s1.
What are the key properties of N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 351.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 129377193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).