4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C18H26N4O — CID 112924138

IUPAC4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H26N4O/c1-6-22(7-2)17-12-14(5)19-18(21-17)20-15-8-10-16(11-9-15)23-13(3)4/h8-13H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyGLDLYGNXBGDWLF-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.16
Rot. Bonds7

About 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112924138) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112924138
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H26N4O/c1-6-22(7-2)17-12-14(5)19-18(21-17)20-15-8-10-16(11-9-15)23-13(3)4/h8-13H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyGLDLYGNXBGDWLF-UHFFFAOYSA-N
XLogP4.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924168
2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924103
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122288447
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112921346

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112924138) is 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is GLDLYGNXBGDWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-6-22(7-2)17-12-14(5)19-18(21-17)20-15-8-10-16(11-9-15)23-13(3)4/h8-13H,6-7H2,1-5H3,(H,19,20,21).
What are the key properties of 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).