4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C22H33N5O — CID 112887559

IUPAC4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C22H33N5O/c1-16(2)18-6-5-7-19(17(3)4)21(18)25-20-8-9-23-22(26-20)24-10-11-27-12-14-28-15-13-27/h5-9,16-17H,10-15H2,1-4H3,(H2,23,24,25,26)
InChIKeyLUPOTHCUGKLEDA-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.21
Rot. Bonds8

About 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887559) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112887559
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C22H33N5O/c1-16(2)18-6-5-7-19(17(3)4)21(18)25-20-8-9-23-22(26-20)24-10-11-27-12-14-28-15-13-27/h5-9,16-17H,10-15H2,1-4H3,(H2,23,24,25,26)
InChIKeyLUPOTHCUGKLEDA-UHFFFAOYSA-N
XLogP4.21
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887514
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887526
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636541
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231
4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887443
4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887567
4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887531
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887463

Frequently Asked Questions

What is the IUPAC name of 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887559) is 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is CC(C)c1cccc(C(C)C)c1Nc1ccnc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is LUPOTHCUGKLEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-16(2)18-6-5-7-19(17(3)4)21(18)25-20-8-9-23-22(26-20)24-10-11-27-12-14-28-15-13-27/h5-9,16-17H,10-15H2,1-4H3,(H2,23,24,25,26).
What are the key properties of 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 383.54 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).