ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C23H42N8O2 — CID 143899643

IUPACethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCC.CC.CNc1nccc(N2CCC(O)C2)n1.CNc1nccc(N2CCC[C@@H]2CO)n1
InChIInChI=1S/C10H16N4O.C9H14N4O.2C2H6/c1-11-10-12-5-4-9(13-10)14-6-2-3-8(14)7-15;1-10-9-11-4-2-8(12-9)13-5-3-7(14)6-13;2*1-2/h4-5,8,15H,2-3,6-7H2,1H3,(H,11,12,13);2,4,7,14H,3,5-6H2,1H3,(H,10,11,12);2*1-2H3/t8-;;;/m1.../s1
InChIKeyDWFKIWRMZQSLNW-VFIYQRISSA-N
MW462.64 g/mol
LogP2.62
Rot. Bonds5

About ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 143899643) has the molecular formula C23H42N8O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Nameethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID143899643
Molecular FormulaC23H42N8O2
Molecular Weight462.64 g/mol
Exact Mass462.34
IUPAC Nameethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCC.CC.CNc1nccc(N2CCC(O)C2)n1.CNc1nccc(N2CCC[C@@H]2CO)n1
InChIInChI=1S/C10H16N4O.C9H14N4O.2C2H6/c1-11-10-12-5-4-9(13-10)14-6-2-3-8(14)7-15;1-10-9-11-4-2-8(12-9)13-5-3-7(14)6-13;2*1-2/h4-5,8,15H,2-3,6-7H2,1H3,(H,11,12,13);2,4,7,14H,3,5-6H2,1H3,(H,10,11,12);2*1-2H3/t8-;;;/m1.../s1
InChIKeyDWFKIWRMZQSLNW-VFIYQRISSA-N
XLogP2.62
TPSA122.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

[1-[6-(4-Cyclopentyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144564
1-(2-{methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}pyrimidin-4-yl)pyrrolidin-3-ol
CID 50959323
1-{2-[Methyl(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-4-yl}piperidin-4-ol
CID 50964448
1-[2-(Methyl{[2-(methylamino)pyrimidin-5-yl]methyl}amino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975483
[1-[4-(Propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 117079609
[1-[4-[2-[Di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 117079982
[1-[4-(Cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 117080165
1-[3-[[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080572
2-[[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 117083398
[1-[4-(2-Morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 117091072
2-({6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl}amino)butan-1-ol
CID 132312835
(2R,3S,4S)-5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentane-1,2,3,4-tetrol
CID 66902908

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 143899643) is ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CC.CC.CNc1nccc(N2CCC(O)C2)n1.CNc1nccc(N2CCC[C@@H]2CO)n1.
What is the InChIKey of ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is DWFKIWRMZQSLNW-VFIYQRISSA-N. The full InChI is InChI=1S/C10H16N4O.C9H14N4O.2C2H6/c1-11-10-12-5-4-9(13-10)14-6-2-3-8(14)7-15;1-10-9-11-4-2-8(12-9)13-5-3-7(14)6-13;2*1-2/h4-5,8,15H,2-3,6-7H2,1H3,(H,11,12,13);2,4,7,14H,3,5-6H2,1H3,(H,10,11,12);2*1-2H3/t8-;;;/m1.../s1.
What are the key properties of ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 462.64 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 143899643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).