4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine

C18H27N5 — CID 112857465

IUPAC4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
SMILESCN(C)CCNc1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C18H27N5/c1-18(2,3)14-6-8-15(9-7-14)22-17-12-16(20-13-21-17)19-10-11-23(4)5/h6-9,12-13H,10-11H2,1-5H3,(H2,19,20,21,22)
InChIKeyFNWADOMGWVMYLS-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.49
Rot. Bonds6

About 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine

4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine (PubChem CID 112857465) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
PubChem CID112857465
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
SMILESCN(C)CCNc1cc(Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C18H27N5/c1-18(2,3)14-6-8-15(9-7-14)22-17-12-16(20-13-21-17)19-10-11-23(4)5/h6-9,12-13H,10-11H2,1-5H3,(H2,19,20,21,22)
InChIKeyFNWADOMGWVMYLS-UHFFFAOYSA-N
XLogP3.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192862
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
3-[[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112857543
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
6-N-[3-(dimethylamino)propyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857881

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine (CID 112857465) is 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine is CN(C)CCNc1cc(Nc2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine?
The InChIKey is FNWADOMGWVMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-18(2,3)14-6-8-15(9-7-14)22-17-12-16(20-13-21-17)19-10-11-23(4)5/h6-9,12-13H,10-11H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine?
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine has a molecular weight of 313.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112857465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).