6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C16H23N7O2 — CID 155942314

IUPAC6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)ncn1
InChIInChI=1S/C16H23N7O2/c1-19(2)12-9-13(18-11-17-12)22-5-7-23(8-6-22)14-10-15(24)21(4)16(25)20(14)3/h9-11H,5-8H2,1-4H3
InChIKeyAKQKUCHZPIWCGQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP-0.73
Rot. Bonds3

About 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 155942314) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID155942314
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)ncn1
InChIInChI=1S/C16H23N7O2/c1-19(2)12-9-13(18-11-17-12)22-5-7-23(8-6-22)14-10-15(24)21(4)16(25)20(14)3/h9-11H,5-8H2,1-4H3
InChIKeyAKQKUCHZPIWCGQ-UHFFFAOYSA-N
XLogP-0.73
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 167997090
6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
CID 122282250
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282072
1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione
CID 155941801
N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155942652
6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 53107462
2-[2-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915614
6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 154883037
2-[3-(dimethylamino)propyl]-9-[6-(dimethylamino)pyrimidin-4-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861684
N,N-dimethyl-6-[4-(4-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 171323717

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 155942314) is 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is CN(C)c1cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)ncn1.
What is the InChIKey of 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AKQKUCHZPIWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-19(2)12-9-13(18-11-17-12)22-5-7-23(8-6-22)14-10-15(24)21(4)16(25)20(14)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 345.41 g/mol, XLogP of -0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 155942314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).