2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide

C16H27N5O3 — CID 172892794

IUPAC2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCOc1cc(OC)nc(N2CCN(C(C)C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C16H27N5O3/c1-11(2)17-15(22)12(3)20-6-8-21(9-7-20)16-18-13(23-4)10-14(19-16)24-5/h10-12H,6-9H2,1-5H3,(H,17,22)
InChIKeyAWXZZTBRQFGBJZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.53
Rot. Bonds6

About 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 172892794) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID172892794
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCOc1cc(OC)nc(N2CCN(C(C)C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C16H27N5O3/c1-11(2)17-15(22)12(3)20-6-8-21(9-7-20)16-18-13(23-4)10-14(19-16)24-5/h10-12H,6-9H2,1-5H3,(H,17,22)
InChIKeyAWXZZTBRQFGBJZ-UHFFFAOYSA-N
XLogP0.53
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4,6-dimethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 136542255
N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75371288
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]propanenitrile
CID 115354846
(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124752672
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-N-methylpropanamide;hydrochloride
CID 70517506
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 43462186
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide
CID 95275291
4,6-dimethoxy-2-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 97436267
(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 124891801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 172892794) is 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is COc1cc(OC)nc(N2CCN(C(C)C(=O)NC(C)C)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is AWXZZTBRQFGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-11(2)17-15(22)12(3)20-6-8-21(9-7-20)16-18-13(23-4)10-14(19-16)24-5/h10-12H,6-9H2,1-5H3,(H,17,22).
What are the key properties of 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 172892794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).