(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol

C18H24N4O2 — CID 56881296

IUPAC(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCc1ccc(-c2ccnc(N3C[C@H](OC(C)C)[C@@H](O)C3)n2)c(C)n1
InChIInChI=1S/C18H24N4O2/c1-11(2)24-17-10-22(9-16(17)23)18-19-8-7-15(21-18)14-6-5-12(3)20-13(14)4/h5-8,11,16-17,23H,9-10H2,1-4H3/t16-,17-/m0/s1
InChIKeyMUFWBYQPEGTRAL-IRXDYDNUSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds4

About (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol

(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 56881296) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID56881296
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCc1ccc(-c2ccnc(N3C[C@H](OC(C)C)[C@@H](O)C3)n2)c(C)n1
InChIInChI=1S/C18H24N4O2/c1-11(2)24-17-10-22(9-16(17)23)18-19-8-7-15(21-18)14-6-5-12(3)20-13(14)4/h5-8,11,16-17,23H,9-10H2,1-4H3/t16-,17-/m0/s1
InChIKeyMUFWBYQPEGTRAL-IRXDYDNUSA-N
XLogP2.13
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol with MolForge

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Related Compounds

(4S)-2-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96572485
(3R,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-(4-methoxyphenyl)pyrrolidin-3-amine
CID 72894514
(1R,5R)-3-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72936084
(1S,5S)-3-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133123561
5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134706824
N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
CID 56872592
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 134709074
1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
4-methyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 131025799
2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 56875539
5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138379695
4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine
CID 131894942

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol (CID 56881296) is (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol is Cc1ccc(-c2ccnc(N3C[C@H](OC(C)C)[C@@H](O)C3)n2)c(C)n1.
What is the InChIKey of (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is MUFWBYQPEGTRAL-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)24-17-10-22(9-16(17)23)18-19-8-7-15(21-18)14-6-5-12(3)20-13(14)4/h5-8,11,16-17,23H,9-10H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol?
(3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 328.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 56881296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).