[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol

C14H22N4O2 — CID 126430167

IUPAC[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESNc1nc([C@@H]2CCOC2)cc(N2CCC(CO)CC2)n1
InChIInChI=1S/C14H22N4O2/c15-14-16-12(11-3-6-20-9-11)7-13(17-14)18-4-1-10(8-19)2-5-18/h7,10-11,19H,1-6,8-9H2,(H2,15,16,17)/t11-/m1/s1
InChIKeyVHDXGTKXVDHJFE-LLVKDONJSA-N
MW278.36 g/mol
LogP0.77
Rot. Bonds3

About [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol

[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 126430167) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID126430167
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESNc1nc([C@@H]2CCOC2)cc(N2CCC(CO)CC2)n1
InChIInChI=1S/C14H22N4O2/c15-14-16-12(11-3-6-20-9-11)7-13(17-14)18-4-1-10(8-19)2-5-18/h7,10-11,19H,1-6,8-9H2,(H2,15,16,17)/t11-/m1/s1
InChIKeyVHDXGTKXVDHJFE-LLVKDONJSA-N
XLogP0.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol (CID 126430167) is [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol is Nc1nc([C@@H]2CCOC2)cc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is VHDXGTKXVDHJFE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-14-16-12(11-3-6-20-9-11)7-13(17-14)18-4-1-10(8-19)2-5-18/h7,10-11,19H,1-6,8-9H2,(H2,15,16,17)/t11-/m1/s1.
What are the key properties of [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 278.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 126430167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).