N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide

C23H31N5O3 — CID 153321095

IUPACN-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCN(C)c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H31N5O3/c1-27(10-9-17-5-7-19(30-2)8-6-17)23-25-20(22(29)24-16-18-3-4-18)15-21(26-23)28-11-13-31-14-12-28/h5-8,15,18H,3-4,9-14,16H2,1-2H3,(H,24,29)
InChIKeyZUQREPOBTNYUOZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.14
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321095) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321095
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCN(C)c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H31N5O3/c1-27(10-9-17-5-7-19(30-2)8-6-17)23-25-20(22(29)24-16-18-3-4-18)15-21(26-23)28-11-13-31-14-12-28/h5-8,15,18H,3-4,9-14,16H2,1-2H3,(H,24,29)
InChIKeyZUQREPOBTNYUOZ-UHFFFAOYSA-N
XLogP2.14
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-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

Related Compounds

1,4-Benzoxazin-3-one, 24
CID 23647885
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
2-(Azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 664371
[2-Methoxy-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11501025
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 11502665
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25118337
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-ethoxyphenyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25118338
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-3-methoxybenzamide
CID 45485028
6-(5-tert-butyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidine-4-carboxamide
CID 46229900
6-(5-tert-butyl-2-methylanilino)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 46229901
4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]benzamide
CID 53318738

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321095) is N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide is COc1ccc(CCN(C)c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is ZUQREPOBTNYUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-27(10-9-17-5-7-19(30-2)8-6-17)23-25-20(22(29)24-16-18-3-4-18)15-21(26-23)28-11-13-31-14-12-28/h5-8,15,18H,3-4,9-14,16H2,1-2H3,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).