4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one

C16H26N4O3 — CID 54466915

IUPAC4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one
SMILESCC(C)N(CC(=O)[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1)C(C)C
InChIInChI=1S/C16H26N4O3/c1-10(2)20(11(3)4)9-12(21)13-5-6-15(23-13)19-8-7-14(17)18-16(19)22/h7-8,10-11,13,15H,5-6,9H2,1-4H3,(H2,17,18,22)/t13-,15+/m0/s1
InChIKeyXFNMBUKXHLSXLE-DZGCQCFKSA-N
MW322.41 g/mol
LogP1.19
Rot. Bonds6

About 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one (PubChem CID 54466915) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one
PubChem CID54466915
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one
SMILESCC(C)N(CC(=O)[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1)C(C)C
InChIInChI=1S/C16H26N4O3/c1-10(2)20(11(3)4)9-12(21)13-5-6-15(23-13)19-8-7-14(17)18-16(19)22/h7-8,10-11,13,15H,5-6,9H2,1-4H3,(H2,17,18,22)/t13-,15+/m0/s1
InChIKeyXFNMBUKXHLSXLE-DZGCQCFKSA-N
XLogP1.19
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one (CID 54466915) is 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one is CC(C)N(CC(=O)[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1)C(C)C.
What is the InChIKey of 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one?
The InChIKey is XFNMBUKXHLSXLE-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)20(11(3)4)9-12(21)13-5-6-15(23-13)19-8-7-14(17)18-16(19)22/h7-8,10-11,13,15H,5-6,9H2,1-4H3,(H2,17,18,22)/t13-,15+/m0/s1.
What are the key properties of 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one has a molecular weight of 322.41 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5S)-5-[2-[di(propan-2-yl)amino]acetyl]oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 54466915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).