4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C20H29N5O — CID 112887514

IUPAC4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C20H29N5O/c1-20(2,3)16-6-4-5-7-17(16)23-18-8-9-21-19(24-18)22-10-11-25-12-14-26-15-13-25/h4-9H,10-15H2,1-3H3,(H2,21,22,23,24)
InChIKeyAKTPBIBPVBZCJC-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.26
Rot. Bonds6

About 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887514) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112887514
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C20H29N5O/c1-20(2,3)16-6-4-5-7-17(16)23-18-8-9-21-19(24-18)22-10-11-25-12-14-26-15-13-25/h4-9H,10-15H2,1-3H3,(H2,21,22,23,24)
InChIKeyAKTPBIBPVBZCJC-UHFFFAOYSA-N
XLogP3.26
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887559
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-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887526
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887443
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636541
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887514) is 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is CC(C)(C)c1ccccc1Nc1ccnc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is AKTPBIBPVBZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-20(2,3)16-6-4-5-7-17(16)23-18-8-9-21-19(24-18)22-10-11-25-12-14-26-15-13-25/h4-9H,10-15H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).