5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one

C12H21N5O — CID 136977498

IUPAC5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CCNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-17-6-3-9(4-7-17)2-5-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7,13H2,1H3,(H2,14,15,16,18)
InChIKeyYHGKORGRMRZQBB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.50
Rot. Bonds4

About 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136977498) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136977498
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CCNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-17-6-3-9(4-7-17)2-5-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7,13H2,1H3,(H2,14,15,16,18)
InChIKeyYHGKORGRMRZQBB-UHFFFAOYSA-N
XLogP0.50
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136977498) is 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one is CN1CCC(CCNc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is YHGKORGRMRZQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-17-6-3-9(4-7-17)2-5-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7,13H2,1H3,(H2,14,15,16,18).
What are the key properties of 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).