[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C14H22N4O2 — CID 95758167

IUPAC[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C14H22N4O2/c19-8-12-4-1-5-18(12)14-7-13(15-10-16-14)17-11-3-2-6-20-9-11/h7,10-12,19H,1-6,8-9H2,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyQHAVHPHDCDBJCV-VXGBXAGGSA-N
MW278.36 g/mol
LogP1.03
Rot. Bonds4

About [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95758167) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95758167
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C14H22N4O2/c19-8-12-4-1-5-18(12)14-7-13(15-10-16-14)17-11-3-2-6-20-9-11/h7,10-12,19H,1-6,8-9H2,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyQHAVHPHDCDBJCV-VXGBXAGGSA-N
XLogP1.03
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

(2S)-1-[(2S)-1-[6-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 129342990
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 129490525
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764041
[1-[6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133435438
6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine
CID 129339877
[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297512
2-[ethyl-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122062125
[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133390263
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95758167) is [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1cc(N[C@@H]2CCCOC2)ncn1.
What is the InChIKey of [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QHAVHPHDCDBJCV-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-8-12-4-1-5-18(12)14-7-13(15-10-16-14)17-11-3-2-6-20-9-11/h7,10-12,19H,1-6,8-9H2,(H,15,16,17)/t11-,12-/m1/s1.
What are the key properties of [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 278.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95758167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).