[(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C18H28N4O — CID 100624919

IUPAC[(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)ncn1
InChIInChI=1S/C18H28N4O/c23-11-16-2-1-7-22(16)18-10-17(20-12-21-18)19-6-5-15-9-13-3-4-14(15)8-13/h10,12-16,23H,1-9,11H2,(H,19,20,21)/t13-,14-,15+,16+/m0/s1
InChIKeySUDSSAOIMBNPAE-CAOSSQGBSA-N
MW316.45 g/mol
LogP2.68
Rot. Bonds6

About [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 100624919) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID100624919
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)ncn1
InChIInChI=1S/C18H28N4O/c23-11-16-2-1-7-22(16)18-10-17(20-12-21-18)19-6-5-15-9-13-3-4-14(15)8-13/h10,12-16,23H,1-9,11H2,(H,19,20,21)/t13-,14-,15+,16+/m0/s1
InChIKeySUDSSAOIMBNPAE-CAOSSQGBSA-N
XLogP2.68
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2S)-1-[6-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 124739509
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299034
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297555
2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
[1-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133399563
[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 129490525

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 100624919) is [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1cc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)ncn1.
What is the InChIKey of [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SUDSSAOIMBNPAE-CAOSSQGBSA-N. The full InChI is InChI=1S/C18H28N4O/c23-11-16-2-1-7-22(16)18-10-17(20-12-21-18)19-6-5-15-9-13-3-4-14(15)8-13/h10,12-16,23H,1-9,11H2,(H,19,20,21)/t13-,14-,15+,16+/m0/s1.
What are the key properties of [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 316.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 100624919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).