2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide

C21H22ClN5O3 — CID 42847745

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3ccccc3Cl)CC2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C21H22ClN5O3/c1-29-20-16(19(28)23-13-15-5-4-12-30-15)14-24-21(25-20)27-10-8-26(9-11-27)18-7-3-2-6-17(18)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,28)
InChIKeyAUIYCWCVLUZBPX-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.99
Rot. Bonds6

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide (PubChem CID 42847745) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
PubChem CID42847745
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3ccccc3Cl)CC2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C21H22ClN5O3/c1-29-20-16(19(28)23-13-15-5-4-12-30-15)14-24-21(25-20)27-10-8-26(9-11-27)18-7-3-2-6-17(18)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,28)
InChIKeyAUIYCWCVLUZBPX-UHFFFAOYSA-N
XLogP2.99
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847808
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 42847771
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142754
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254907
N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850808
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide (CID 42847745) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide is COc1nc(N2CCN(c3ccccc3Cl)CC2)ncc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
The InChIKey is AUIYCWCVLUZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-29-20-16(19(28)23-13-15-5-4-12-30-15)14-24-21(25-20)27-10-8-26(9-11-27)18-7-3-2-6-17(18)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,28).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 42847745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).