N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C22H26N6 — CID 166204057

IUPACN-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNC(c2ccccc2)c2ccccn2)ncn1
InChIInChI=1S/C22H26N6/c1-23-20-14-21(27-16-26-20)28-13-7-10-18(28)15-25-22(17-8-3-2-4-9-17)19-11-5-6-12-24-19/h2-6,8-9,11-12,14,16,18,22,25H,7,10,13,15H2,1H3,(H,23,26,27)
InChIKeyLJJAHUXETQDDAI-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.26
Rot. Bonds7

About N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 166204057) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID166204057
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNC(c2ccccc2)c2ccccn2)ncn1
InChIInChI=1S/C22H26N6/c1-23-20-14-21(27-16-26-20)28-13-7-10-18(28)15-25-22(17-8-3-2-4-9-17)19-11-5-6-12-24-19/h2-6,8-9,11-12,14,16,18,22,25H,7,10,13,15H2,1H3,(H,23,26,27)
InChIKeyLJJAHUXETQDDAI-UHFFFAOYSA-N
XLogP3.26
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-1-[6-(methylamino)pyrimidin-4-yl]-5-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 146112603
(2S)-2-[[(2R)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 95764406
(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 100838473
[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133415910
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124046
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
CID 133470303
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 166204057) is N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC2CNC(c2ccccc2)c2ccccn2)ncn1.
What is the InChIKey of N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is LJJAHUXETQDDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-23-20-14-21(27-16-26-20)28-13-7-10-18(28)15-25-22(17-8-3-2-4-9-17)19-11-5-6-12-24-19/h2-6,8-9,11-12,14,16,18,22,25H,7,10,13,15H2,1H3,(H,23,26,27).
What are the key properties of N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 166204057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).