[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C15H24N4O — CID 70706860

IUPAC[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1nccc(N2C[C@@H](CN3CCCC3)[C@@H](CO)C2)n1
InChIInChI=1S/C15H24N4O/c1-12-16-5-4-15(17-12)19-9-13(14(10-19)11-20)8-18-6-2-3-7-18/h4-5,13-14,20H,2-3,6-11H2,1H3/t13-,14-/m1/s1
InChIKeyBVPUNTLDFDZSFR-ZIAGYGMSSA-N
MW276.38 g/mol
LogP0.93
Rot. Bonds4

About [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70706860) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70706860
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1nccc(N2C[C@@H](CN3CCCC3)[C@@H](CO)C2)n1
InChIInChI=1S/C15H24N4O/c1-12-16-5-4-15(17-12)19-9-13(14(10-19)11-20)8-18-6-2-3-7-18/h4-5,13-14,20H,2-3,6-11H2,1H3/t13-,14-/m1/s1
InChIKeyBVPUNTLDFDZSFR-ZIAGYGMSSA-N
XLogP0.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

1-(2-{methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amino}pyrimidin-4-yl)pyrrolidin-3-ol
CID 50970544
[(3R*,4R*)-1-[(2-isopropylpyrimidin-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70735890
[(3R*,4R*)-1-[2-(methylthio)pyrimidin-4-yl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70782339
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
[4-Amino-1-(pyrimidin-2-YL)pyrrolidin-3-YL]methanol
CID 110202608
[1-[(2-Propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 110226036
2-(Oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 118745288
(3aS,6aR)-2-(oxolan-3-ylmethyl)-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 127023585
2-[{[(3R*,4R*)-1-(4-amino-2-pyrimidinyl)-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(ethyl)amino]ethanol
CID 72934826
[(3R,4R)-4-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 70731289
2-[[(2-Tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
CID 71846241
N-{[1-(3-Methoxypropyl)pyrrolidin-3-YL]methyl}pyrimidin-4-amine
CID 72922056

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70706860) is [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is Cc1nccc(N2C[C@@H](CN3CCCC3)[C@@H](CO)C2)n1.
What is the InChIKey of [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is BVPUNTLDFDZSFR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-16-5-4-15(17-12)19-9-13(14(10-19)11-20)8-18-6-2-3-7-18/h4-5,13-14,20H,2-3,6-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 276.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70706860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).