1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide

C17H27N5O3 — CID 118779324

IUPAC1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCN1CCN(CC2(CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)CC1
InChIInChI=1S/C17H27N5O3/c1-19-6-8-22(9-7-19)12-17(4-5-17)11-18-15(24)13-10-14(23)21(3)16(25)20(13)2/h10H,4-9,11-12H2,1-3H3,(H,18,24)
InChIKeyQJXQKDHXCFYQBO-UHFFFAOYSA-N
MW349.44 g/mol
LogP-1.16
Rot. Bonds5

About 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 118779324) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide
PubChem CID118779324
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCN1CCN(CC2(CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)CC1
InChIInChI=1S/C17H27N5O3/c1-19-6-8-22(9-7-19)12-17(4-5-17)11-18-15(24)13-10-14(23)21(3)16(25)20(13)2/h10H,4-9,11-12H2,1-3H3,(H,18,24)
InChIKeyQJXQKDHXCFYQBO-UHFFFAOYSA-N
XLogP-1.16
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide with MolForge

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Related Compounds

6-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56873791
6-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56742220
4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594021
2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 17565397
2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 17567579
2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide
CID 43443251
2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide
CID 43600261
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
CID 43602147
N-butyl-2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 46677573
6-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55086149
6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 55104387
6-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55176062

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide (CID 118779324) is 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide is CN1CCN(CC2(CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)CC1.
What is the InChIKey of 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is QJXQKDHXCFYQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-19-6-8-22(9-7-19)12-17(4-5-17)11-18-15(24)13-10-14(23)21(3)16(25)20(13)2/h10H,4-9,11-12H2,1-3H3,(H,18,24).
What are the key properties of 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of -1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 118779324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).