4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide

C20H26ClN5O — CID 59690655

IUPAC4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCN(c2ccnc(Cl)n2)CC1C(C)C
InChIInChI=1S/C20H26ClN5O/c1-13(2)16-12-25(17-8-9-22-19(21)23-17)10-11-26(16)20(27)24-18-14(3)6-5-7-15(18)4/h5-9,13,16H,10-12H2,1-4H3,(H,24,27)
InChIKeyKFVWHVQKRHOQRY-UHFFFAOYSA-N
MW387.92 g/mol
LogP4.13
Rot. Bonds3

About 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide

4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 59690655) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID59690655
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCN(c2ccnc(Cl)n2)CC1C(C)C
InChIInChI=1S/C20H26ClN5O/c1-13(2)16-12-25(17-8-9-22-19(21)23-17)10-11-26(16)20(27)24-18-14(3)6-5-7-15(18)4/h5-9,13,16H,10-12H2,1-4H3,(H,24,27)
InChIKeyKFVWHVQKRHOQRY-UHFFFAOYSA-N
XLogP4.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

methyl 2-[[4-(2-chloropyrimidin-4-yl)-2-propan-2-ylpiperazine-1-carbonyl]amino]benzoate
CID 59690206
4-(2-chloropyrimidin-4-yl)-2-propan-2-yl-N-(2-propylphenyl)piperazine-1-carboxamide
CID 59689869
ethyl 3-[[4-(2-chloropyrimidin-4-yl)-2-propan-2-ylpiperazine-1-carbonyl]amino]propanoate
CID 59689550
methyl 3-[[4-(2-chloropyrimidin-4-yl)-2-propan-2-ylpiperazine-1-carbothioyl]amino]-2-methylbenzoate
CID 59689432
acetic acid;methyl 3-[[[4-(2-chloropyrimidin-4-yl)-2-propan-2-ylpiperazin-1-yl]-(cyanoamino)methylidene]amino]-2-methylbenzoate
CID 158529541
4-(2-chloropyrimidin-4-yl)-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 143604545
[1-(2-chloropyrimidin-4-yl)azetidin-3-yl]carbamic acid
CID 151158754
N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86800635
4-(6-amino-2-chloropyrimidin-4-yl)-2-propan-2-yl-N-quinolin-5-ylpiperazine-1-carbothioamide
CID 59690043
methyl 5-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate;bis(2,2,2-trifluoroacetic acid)
CID 161015593
N-(3-bromophenyl)-4-(2-chloropyrimidin-4-yl)piperazine-1-carboxamide
CID 162650863
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide (CID 59690655) is 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCN(c2ccnc(Cl)n2)CC1C(C)C.
What is the InChIKey of 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is KFVWHVQKRHOQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-13(2)16-12-25(17-8-9-22-19(21)23-17)10-11-26(16)20(27)24-18-14(3)6-5-7-15(18)4/h5-9,13,16H,10-12H2,1-4H3,(H,24,27).
What are the key properties of 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide?
4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 387.92 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 59690655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).