5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

C15H20N4 — CID 80768345

IUPAC5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N4/c1-4-13-14(16)17-9-18-15(13)19-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyJFAMFYPOSLZSHJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds4

About 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 80768345) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID80768345
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N4/c1-4-13-14(16)17-9-18-15(13)19-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyJFAMFYPOSLZSHJ-UHFFFAOYSA-N
XLogP3.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80760702
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
4-N-(1,3-benzodioxol-5-yl)-5-ethylpyrimidine-4,6-diamine
CID 80759767
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80912556
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 80768345) is 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccc(C(C)C)cc1.
What is the InChIKey of 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is JFAMFYPOSLZSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-13-14(16)17-9-18-15(13)19-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80768345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).