4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one

C17H29N3O2 — CID 174181783

IUPAC4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)C(n2ccc(N)nc2=O)O1
InChIInChI=1S/C17H29N3O2/c1-16(2,3)10-11-9-12(17(4,5)6)14(22-11)20-8-7-13(18)19-15(20)21/h7-8,11-12,14H,9-10H2,1-6H3,(H2,18,19,21)/t11-,12-,14?/m0/s1
InChIKeyHXTMATQYZJGIDX-VHBIQUBJSA-N
MW307.44 g/mol
LogP3.21
Rot. Bonds2

About 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 174181783) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID174181783
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)C(n2ccc(N)nc2=O)O1
InChIInChI=1S/C17H29N3O2/c1-16(2,3)10-11-9-12(17(4,5)6)14(22-11)20-8-7-13(18)19-15(20)21/h7-8,11-12,14H,9-10H2,1-6H3,(H2,18,19,21)/t11-,12-,14?/m0/s1
InChIKeyHXTMATQYZJGIDX-VHBIQUBJSA-N
XLogP3.21
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[4-tert-butyl-5-(2,2-dimethylpropyl)-3-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 174181688
4-amino-1-[(2S,3S,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 10588718
4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one
CID 174006574
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 23276193
[(2S,3R,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 124526324
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059
(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile
CID 143888898
sodium;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydride
CID 173204866
4-amino-1-[3-hydroxy-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10407916
4-amino-1-[(2R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 149046467
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one (CID 174181783) is 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one is CC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)C(n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is HXTMATQYZJGIDX-VHBIQUBJSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-16(2,3)10-11-9-12(17(4,5)6)14(22-11)20-8-7-13(18)19-15(20)21/h7-8,11-12,14H,9-10H2,1-6H3,(H2,18,19,21)/t11-,12-,14?/m0/s1.
What are the key properties of 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 174181783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).