5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H17N5O — CID 136726428

IUPAC5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5,11H2,1-2H3,(H,12,13,16)
InChIKeyNRELLAWZMFPTTH-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.51
Rot. Bonds1

About 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136726428) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136726428
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5,11H2,1-2H3,(H,12,13,16)
InChIKeyNRELLAWZMFPTTH-UHFFFAOYSA-N
XLogP-0.51
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
5,6-Dimethyl-5,6,7,8-tetrahydropterin
CID 135554447
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridin-4-one
CID 135401456
6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
2-Amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one
CID 136653128
5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009572
4(1H)-Pteridinone, 5,6,7,8-tetrahydro-6-methyl-
CID 135703372
5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135786483
2,5-diamino-4-[[(2R,3S)-3-aminobutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136207594

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136726428) is 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is CC1CN(C)CCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is NRELLAWZMFPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5,11H2,1-2H3,(H,12,13,16).
What are the key properties of 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).