4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one

C19H26N6O2 — CID 72881312

IUPAC4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one
SMILESCc1cc(C)cc(CN2CCN(c3cc(NCCO)nc(N)n3)CC2=O)c1
InChIInChI=1S/C19H26N6O2/c1-13-7-14(2)9-15(8-13)11-25-5-4-24(12-18(25)27)17-10-16(21-3-6-26)22-19(20)23-17/h7-10,26H,3-6,11-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyJRJHQCIGJNPPEO-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.93
Rot. Bonds6

About 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one

4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one (PubChem CID 72881312) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one
PubChem CID72881312
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one
SMILESCc1cc(C)cc(CN2CCN(c3cc(NCCO)nc(N)n3)CC2=O)c1
InChIInChI=1S/C19H26N6O2/c1-13-7-14(2)9-15(8-13)11-25-5-4-24(12-18(25)27)17-10-16(21-3-6-26)22-19(20)23-17/h7-10,26H,3-6,11-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyJRJHQCIGJNPPEO-UHFFFAOYSA-N
XLogP0.93
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one (CID 72881312) is 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one is Cc1cc(C)cc(CN2CCN(c3cc(NCCO)nc(N)n3)CC2=O)c1.
What is the InChIKey of 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one?
The InChIKey is JRJHQCIGJNPPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-7-14(2)9-15(8-13)11-25-5-4-24(12-18(25)27)17-10-16(21-3-6-26)22-19(20)23-17/h7-10,26H,3-6,11-12H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one?
4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one has a molecular weight of 370.46 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 72881312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).