4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine

C20H28N6O3S — CID 125025381

IUPAC4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1
InChIInChI=1S/C20H28N6O3S/c1-14-10-15(2)23-20(22-14)24-17-11-16(3)21-18(12-17)19-13-26(8-9-29-19)30(27,28)25-6-4-5-7-25/h10-12,19H,4-9,13H2,1-3H3,(H,21,22,23,24)/t19-/m1/s1
InChIKeyZMHDCBNMLQIPRS-LJQANCHMSA-N
MW432.55 g/mol
LogP2.25
Rot. Bonds5

About 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine

4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine (PubChem CID 125025381) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine
PubChem CID125025381
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC Name4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1
InChIInChI=1S/C20H28N6O3S/c1-14-10-15(2)23-20(22-14)24-17-11-16(3)21-18(12-17)19-13-26(8-9-29-19)30(27,28)25-6-4-5-7-25/h10-12,19H,4-9,13H2,1-3H3,(H,21,22,23,24)/t19-/m1/s1
InChIKeyZMHDCBNMLQIPRS-LJQANCHMSA-N
XLogP2.25
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone
CID 124990655
2-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N,6-dimethylpyridin-4-amine
CID 124978136
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 124983214
(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 125003032
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
2-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
CID 110105040
(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125011329
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine (CID 125025381) is 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine is Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1.
What is the InChIKey of 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is ZMHDCBNMLQIPRS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-14-10-15(2)23-20(22-14)24-17-11-16(3)21-18(12-17)19-13-26(8-9-29-19)30(27,28)25-6-4-5-7-25/h10-12,19H,4-9,13H2,1-3H3,(H,21,22,23,24)/t19-/m1/s1.
What are the key properties of 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine?
4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 432.55 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 125025381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).