4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine

C28H30N6O2 — CID 44527654

IUPAC4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine
SMILESc1cncc(-c2cccc(CNc3nccc(Nc4ccc(OCCN5CCOCC5)cc4)n3)c2)c1
InChIInChI=1S/C28H30N6O2/c1-3-22(19-23(4-1)24-5-2-11-29-21-24)20-31-28-30-12-10-27(33-28)32-25-6-8-26(9-7-25)36-18-15-34-13-16-35-17-14-34/h1-12,19,21H,13-18,20H2,(H2,30,31,32,33)
InChIKeyQOEHBLIDFNMJDV-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.61
Rot. Bonds10

About 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine

4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 44527654) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID44527654
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine
SMILESc1cncc(-c2cccc(CNc3nccc(Nc4ccc(OCCN5CCOCC5)cc4)n3)c2)c1
InChIInChI=1S/C28H30N6O2/c1-3-22(19-23(4-1)24-5-2-11-29-21-24)20-31-28-30-12-10-27(33-28)32-25-6-8-26(9-7-25)36-18-15-34-13-16-35-17-14-34/h1-12,19,21H,13-18,20H2,(H2,30,31,32,33)
InChIKeyQOEHBLIDFNMJDV-UHFFFAOYSA-N
XLogP4.61
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

Pacritinib
CID 46216796
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
2,4-Bis anilino pyrimidine deriv. 12
CID 6538995
6-[(Benzyloxy)methyl]-5-{4-[(pyridin-4-ylmethyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11327400
2,6-dimethylphenyl N-(4-methoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate
CID 11844350
Dibenzo[c,f][2,7]naphthyridine, 14
CID 23648180
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine (CID 44527654) is 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine is c1cncc(-c2cccc(CNc3nccc(Nc4ccc(OCCN5CCOCC5)cc4)n3)c2)c1.
What is the InChIKey of 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QOEHBLIDFNMJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-3-22(19-23(4-1)24-5-2-11-29-21-24)20-31-28-30-12-10-27(33-28)32-25-6-8-26(9-7-25)36-18-15-34-13-16-35-17-14-34/h1-12,19,21H,13-18,20H2,(H2,30,31,32,33).
What are the key properties of 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine?
4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 482.59 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44527654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).