1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol

C19H27N5O4S — CID 123259958

IUPAC1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC(C)Oc1nc(NCc2ccccc2S(C)(=O)=O)c(N)c(N2CCC(O)C2)n1
InChIInChI=1S/C19H27N5O4S/c1-12(2)28-19-22-17(16(20)18(23-19)24-9-8-14(25)11-24)21-10-13-6-4-5-7-15(13)29(3,26)27/h4-7,12,14,25H,8-11,20H2,1-3H3,(H,21,22,23)
InChIKeySELPTETWBIEDEX-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.43
Rot. Bonds7

About 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol

1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 123259958) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID123259958
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC(C)Oc1nc(NCc2ccccc2S(C)(=O)=O)c(N)c(N2CCC(O)C2)n1
InChIInChI=1S/C19H27N5O4S/c1-12(2)28-19-22-17(16(20)18(23-19)24-9-8-14(25)11-24)21-10-13-6-4-5-7-15(13)29(3,26)27/h4-7,12,14,25H,8-11,20H2,1-3H3,(H,21,22,23)
InChIKeySELPTETWBIEDEX-UHFFFAOYSA-N
XLogP1.43
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-3-ium-4-yl]pyrrolidin-3-ol
CID 144802566
1-[4-[[5-methyl-4-[(2-methylsulfonylphenyl)methylamino]pyrrolo[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 134303347
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726
1-[4-[[4-[(2-propan-2-ylsulfonylphenyl)methylamino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 140936149
(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892918
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide
CID 104892772
1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone
CID 154608742
(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
CID 50968139
[1-(5,6-diamino-2-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 123823155
1-[5-amino-2-[difluoro(phenyl)methyl]-6-hydrazinylpyrimidin-4-yl]pyrrolidin-3-ol
CID 145421224
1-[4-[[4-[(2-propan-2-ylsulfonylphenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 139305705
1-[6-(propan-2-yloxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 164738532

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol (CID 123259958) is 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol is CC(C)Oc1nc(NCc2ccccc2S(C)(=O)=O)c(N)c(N2CCC(O)C2)n1.
What is the InChIKey of 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is SELPTETWBIEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-12(2)28-19-22-17(16(20)18(23-19)24-9-8-14(25)11-24)21-10-13-6-4-5-7-15(13)29(3,26)27/h4-7,12,14,25H,8-11,20H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol?
1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 421.52 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-[(2-methylsulfonylphenyl)methylamino]-2-propan-2-yloxypyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 123259958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).