[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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Related Compounds

4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 119064003
3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
CID 126447690
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
CID 119065215
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119061021
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126433878
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
CID 118780899
[5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 118778507

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).