2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide

C20H27ClN6O3 — CID 19795937

IUPAC2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(CC(CNc2nccc(C(N)=O)n2)OC)CC1
InChIInChI=1S/C20H27ClN6O3/c1-29-15(12-24-20-23-6-5-16(25-20)19(22)28)13-26-7-9-27(10-8-26)17-11-14(21)3-4-18(17)30-2/h3-6,11,15H,7-10,12-13H2,1-2H3,(H2,22,28)(H,23,24,25)
InChIKeyNLDXCWVVCRDNMX-UHFFFAOYSA-N
MW434.93 g/mol
LogP1.49
Rot. Bonds9

About 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide

2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide (PubChem CID 19795937) has the molecular formula C20H27ClN6O3 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide
PubChem CID19795937
Molecular FormulaC20H27ClN6O3
Molecular Weight434.93 g/mol
Exact Mass434.18
IUPAC Name2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(CC(CNc2nccc(C(N)=O)n2)OC)CC1
InChIInChI=1S/C20H27ClN6O3/c1-29-15(12-24-20-23-6-5-16(25-20)19(22)28)13-26-7-9-27(10-8-26)17-11-14(21)3-4-18(17)30-2/h3-6,11,15H,7-10,12-13H2,1-2H3,(H2,22,28)(H,23,24,25)
InChIKeyNLDXCWVVCRDNMX-UHFFFAOYSA-N
XLogP1.49
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide (CID 19795937) is 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide is COc1ccc(Cl)cc1N1CCN(CC(CNc2nccc(C(N)=O)n2)OC)CC1.
What is the InChIKey of 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide?
The InChIKey is NLDXCWVVCRDNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN6O3/c1-29-15(12-24-20-23-6-5-16(25-20)19(22)28)13-26-7-9-27(10-8-26)17-11-14(21)3-4-18(17)30-2/h3-6,11,15H,7-10,12-13H2,1-2H3,(H2,22,28)(H,23,24,25).
What are the key properties of 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide?
2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropyl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 19795937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).