5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C23H33N5O2 — CID 77435717

IUPAC5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCc1cnc(-c2ccc(OC3CCN(C)C3)cc2)nc1NCCCN1CCOCC1
InChIInChI=1S/C23H33N5O2/c1-18-16-25-23(26-22(18)24-9-3-10-28-12-14-29-15-13-28)19-4-6-20(7-5-19)30-21-8-11-27(2)17-21/h4-7,16,21H,3,8-15,17H2,1-2H3,(H,24,25,26)
InChIKeySRJMIXLZTUVBDR-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.67
Rot. Bonds8

About 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 77435717) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID77435717
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCc1cnc(-c2ccc(OC3CCN(C)C3)cc2)nc1NCCCN1CCOCC1
InChIInChI=1S/C23H33N5O2/c1-18-16-25-23(26-22(18)24-9-3-10-28-12-14-29-15-13-28)19-4-6-20(7-5-19)30-21-8-11-27(2)17-21/h4-7,16,21H,3,8-15,17H2,1-2H3,(H,24,25,26)
InChIKeySRJMIXLZTUVBDR-UHFFFAOYSA-N
XLogP2.67
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
CID 170871376
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
CID 71479252
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 20952697

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 77435717) is 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is Cc1cnc(-c2ccc(OC3CCN(C)C3)cc2)nc1NCCCN1CCOCC1.
What is the InChIKey of 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is SRJMIXLZTUVBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-18-16-25-23(26-22(18)24-9-3-10-28-12-14-29-15-13-28)19-4-6-20(7-5-19)30-21-8-11-27(2)17-21/h4-7,16,21H,3,8-15,17H2,1-2H3,(H,24,25,26).
What are the key properties of 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 411.55 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 77435717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).