1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione

C24H38N6O2 — CID 67375340

IUPAC1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione
SMILESCCCc1cc(N2CCN(C(C)CCCn3ccc(=O)[nH]c3=O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C24H38N6O2/c1-6-8-19-17-20(26-22(25-19)24(3,4)5)29-15-13-28(14-16-29)18(2)9-7-11-30-12-10-21(31)27-23(30)32/h10,12,17-18H,6-9,11,13-16H2,1-5H3,(H,27,31,32)
InChIKeyRLMXKJMFFWVJRL-UHFFFAOYSA-N
MW442.61 g/mol
LogP2.57
Rot. Bonds8

About 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione

1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione (PubChem CID 67375340) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione
PubChem CID67375340
Molecular FormulaC24H38N6O2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione
SMILESCCCc1cc(N2CCN(C(C)CCCn3ccc(=O)[nH]c3=O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C24H38N6O2/c1-6-8-19-17-20(26-22(25-19)24(3,4)5)29-15-13-28(14-16-29)18(2)9-7-11-30-12-10-21(31)27-23(30)32/h10,12,17-18H,6-9,11,13-16H2,1-5H3,(H,27,31,32)
InChIKeyRLMXKJMFFWVJRL-UHFFFAOYSA-N
XLogP2.57
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pentyl]pyrimidine-2,4-dione
CID 67374469
1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one
CID 67242516
(E)-but-2-enedioic acid;bis(1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-5-ethylpyrimidine-2,4-dione)
CID 173067012
but-2-enedioic acid;bis(1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-5-ethylpyrimidine-2,4-dione)
CID 173067014
(E)-but-2-enedioic acid;bis(1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-(3-fluorophenyl)pyrimidin-2-one)
CID 173066727
2-tert-butyl-4-[4-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazin-1-yl]-6-propylpyrimidine;hydrochloride
CID 66673996
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
3-[4-(2-tert-butyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155974370
4-O-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)-1-[4-[4-(2-methylphenyl)-2-oxopyrimidin-1-yl]butyl]piperazin-1-ium-1-yl] 1-O-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)-1-[4-[4-(4-methylphenyl)-2-oxopyrimidin-1-yl]butyl]piperazin-1-ium-1-yl] (E)-but-2-enedioate
CID 87375987
but-2-enedioic acid;2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]-6-propylpyrimidine
CID 66673891
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
but-2-enedioic acid;bis(1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-4-ethylpyrimidin-2-one)
CID 173066997

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione (CID 67375340) is 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione is CCCc1cc(N2CCN(C(C)CCCn3ccc(=O)[nH]c3=O)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione?
The InChIKey is RLMXKJMFFWVJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-6-8-19-17-20(26-22(25-19)24(3,4)5)29-15-13-28(14-16-29)18(2)9-7-11-30-12-10-21(31)27-23(30)32/h10,12,17-18H,6-9,11,13-16H2,1-5H3,(H,27,31,32).
What are the key properties of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione?
1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione has a molecular weight of 442.61 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 67375340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).