[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C14H22N4O3 — CID 129490525

IUPAC[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(NC[C@H]2COCCO2)ncn1
InChIInChI=1S/C14H22N4O3/c19-8-11-2-1-3-18(11)14-6-13(16-10-17-14)15-7-12-9-20-4-5-21-12/h6,10-12,19H,1-5,7-9H2,(H,15,16,17)/t11-,12+/m1/s1
InChIKeyJXXLCXXXKCCPOO-NEPJUHHUSA-N
MW294.36 g/mol
LogP0.26
Rot. Bonds5

About [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 129490525) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID129490525
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(NC[C@H]2COCCO2)ncn1
InChIInChI=1S/C14H22N4O3/c19-8-11-2-1-3-18(11)14-6-13(16-10-17-14)15-7-12-9-20-4-5-21-12/h6,10-12,19H,1-5,7-9H2,(H,15,16,17)/t11-,12+/m1/s1
InChIKeyJXXLCXXXKCCPOO-NEPJUHHUSA-N
XLogP0.26
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

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[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 129490525) is [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1cc(NC[C@H]2COCCO2)ncn1.
What is the InChIKey of [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is JXXLCXXXKCCPOO-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-8-11-2-1-3-18(11)14-6-13(16-10-17-14)15-7-12-9-20-4-5-21-12/h6,10-12,19H,1-5,7-9H2,(H,15,16,17)/t11-,12+/m1/s1.
What are the key properties of [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 294.36 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 129490525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).