5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine

C23H29N7O3 — CID 22636816

IUPAC5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C23H29N7O3/c1-3-32-18-10-15(9-16-12-26-22(25)29-21(16)24)11-19(33-4-2)20(18)17-13-27-23(28-14-17)30-5-7-31-8-6-30/h10-14H,3-9H2,1-2H3,(H4,24,25,26,29)
InChIKeyNSPKNSBUXYMBMU-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.32
Rot. Bonds8

About 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine

5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 22636816) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID22636816
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C23H29N7O3/c1-3-32-18-10-15(9-16-12-26-22(25)29-21(16)24)11-19(33-4-2)20(18)17-13-27-23(28-14-17)30-5-7-31-8-6-30/h10-14H,3-9H2,1-2H3,(H4,24,25,26,29)
InChIKeyNSPKNSBUXYMBMU-UHFFFAOYSA-N
XLogP2.32
TPSA134.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]phenyl]methanesulfonamide
CID 22637026
3-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 22636845
5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propan-2-yloxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22636903
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
5-[[3-ethoxy-4-[4-(methylamino)phenyl]-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22637002
4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethoxy-6-[2-(oxan-2-yl)ethoxy]phenyl]phenol
CID 22636859
5-[[3-ethoxy-5-(3-methoxy-2,2-dimethylpropoxy)-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636928
5-[[3-(cyclopentylmethoxy)-5-ethoxy-4-[4-(methoxymethoxy)phenyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 22636972
5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
CID 14570320
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
5-[(3-ethoxy-4-iodo-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 22636806
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 70131470

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine (CID 22636816) is 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine is CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is NSPKNSBUXYMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-3-32-18-10-15(9-16-12-26-22(25)29-21(16)24)11-19(33-4-2)20(18)17-13-27-23(28-14-17)30-5-7-31-8-6-30/h10-14H,3-9H2,1-2H3,(H4,24,25,26,29).
What are the key properties of 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 451.53 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 22636816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).