4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C23H32N6O3 — CID 42847731

IUPAC4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3ccccc3C)CC2)ncc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C23H32N6O3/c1-18-5-3-4-6-20(18)28-9-11-29(12-10-28)23-25-17-19(22(26-23)31-2)21(30)24-7-8-27-13-15-32-16-14-27/h3-6,17H,7-16H2,1-2H3,(H,24,30)
InChIKeyNHHAPPUAPLVURQ-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.18
Rot. Bonds7

About 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 42847731) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID42847731
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3ccccc3C)CC2)ncc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C23H32N6O3/c1-18-5-3-4-6-20(18)28-9-11-29(12-10-28)23-25-17-19(22(26-23)31-2)21(30)24-7-8-27-13-15-32-16-14-27/h3-6,17H,7-16H2,1-2H3,(H,24,30)
InChIKeyNHHAPPUAPLVURQ-UHFFFAOYSA-N
XLogP1.18
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42847732
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42692587
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847745
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 42847771
1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)isoquinoline-4-carboxamide
CID 126476783
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
CID 46037159
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579
5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42660039

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 42847731) is 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is COc1nc(N2CCN(c3ccccc3C)CC2)ncc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is NHHAPPUAPLVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-18-5-3-4-6-20(18)28-9-11-29(12-10-28)23-25-17-19(22(26-23)31-2)21(30)24-7-8-27-13-15-32-16-14-27/h3-6,17H,7-16H2,1-2H3,(H,24,30).
What are the key properties of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42847731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).