4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one

C10H16N4O — CID 136879295

IUPAC4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC[C@@H]2CCCN2)nc[nH]1
InChIInChI=1S/C10H16N4O/c15-10-6-9(13-7-14-10)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H2,12,13,14,15)/t8-/m0/s1
InChIKeySIHNJTWJUUTMSS-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.32
Rot. Bonds4

About 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one

4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136879295) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
PubChem CID136879295
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC[C@@H]2CCCN2)nc[nH]1
InChIInChI=1S/C10H16N4O/c15-10-6-9(13-7-14-10)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H2,12,13,14,15)/t8-/m0/s1
InChIKeySIHNJTWJUUTMSS-QMMMGPOBSA-N
XLogP0.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one (CID 136879295) is 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCC[C@@H]2CCCN2)nc[nH]1.
What is the InChIKey of 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is SIHNJTWJUUTMSS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-6-9(13-7-14-10)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H2,12,13,14,15)/t8-/m0/s1.
What are the key properties of 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136879295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).