6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione

C24H37N7O3 — CID 34200596

IUPAC6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione
SMILESCC(C)CN(CCC(=O)N1CCN(c2ccccn2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H37N7O3/c1-17(2)15-30(21-22(25)31(16-18(3)4)24(34)27-23(21)33)10-8-20(32)29-13-11-28(12-14-29)19-7-5-6-9-26-19/h5-7,9,17-18H,8,10-16,25H2,1-4H3,(H,27,33,34)
InChIKeyTWVFSCXVTCUAHT-UHFFFAOYSA-N
MW471.61 g/mol
LogP1.37
Rot. Bonds9

About 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione (PubChem CID 34200596) has the molecular formula C24H37N7O3 and a molecular weight of 471.61 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione
PubChem CID34200596
Molecular FormulaC24H37N7O3
Molecular Weight471.61 g/mol
Exact Mass471.30
IUPAC Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione
SMILESCC(C)CN(CCC(=O)N1CCN(c2ccccn2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H37N7O3/c1-17(2)15-30(21-22(25)31(16-18(3)4)24(34)27-23(21)33)10-8-20(32)29-13-11-28(12-14-29)19-7-5-6-9-26-19/h5-7,9,17-18H,8,10-16,25H2,1-4H3,(H,27,33,34)
InChIKeyTWVFSCXVTCUAHT-UHFFFAOYSA-N
XLogP1.37
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133
6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
3-(N-ethyl-2,4-dimethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55864955
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3882558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8615527
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
1-[4-(2-methylpropyl)phenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 52587966
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
CID 113141293

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione (CID 34200596) is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione is CC(C)CN(CCC(=O)N1CCN(c2ccccn2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione?
The InChIKey is TWVFSCXVTCUAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O3/c1-17(2)15-30(21-22(25)31(16-18(3)4)24(34)27-23(21)33)10-8-20(32)29-13-11-28(12-14-29)19-7-5-6-9-26-19/h5-7,9,17-18H,8,10-16,25H2,1-4H3,(H,27,33,34).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione has a molecular weight of 471.61 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 34200596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).