4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol

C15H23N3O2 — CID 124999428

IUPAC4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCc1ccnc([C@@H]2CCN(CC3(O)CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O2/c1-12-2-6-16-14(17-12)13-3-7-18(10-13)11-15(19)4-8-20-9-5-15/h2,6,13,19H,3-5,7-11H2,1H3/t13-/m1/s1
InChIKeyROVZHXDGBVKAMS-CYBMUJFWSA-N
MW277.37 g/mol
LogP1.12
Rot. Bonds3

About 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol

4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol (PubChem CID 124999428) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
PubChem CID124999428
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCc1ccnc([C@@H]2CCN(CC3(O)CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O2/c1-12-2-6-16-14(17-12)13-3-7-18(10-13)11-15(19)4-8-20-9-5-15/h2,6,13,19H,3-5,7-11H2,1H3/t13-/m1/s1
InChIKeyROVZHXDGBVKAMS-CYBMUJFWSA-N
XLogP1.12
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 110115532
4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 124641598
4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
CID 110114983
4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 125008735
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047
2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol (CID 124999428) is 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol is Cc1ccnc([C@@H]2CCN(CC3(O)CCOCC3)C2)n1.
What is the InChIKey of 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The InChIKey is ROVZHXDGBVKAMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-2-6-16-14(17-12)13-3-7-18(10-13)11-15(19)4-8-20-9-5-15/h2,6,13,19H,3-5,7-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol has a molecular weight of 277.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 124999428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).