4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

C9H16N4 — CID 80770662

IUPAC4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N)c1C(C)C
InChIInChI=1S/C9H16N4/c1-4-11-9-7(6(2)3)8(10)12-5-13-9/h5-6H,4H2,1-3H3,(H3,10,11,12,13)
InChIKeyMKUZEELADQKUDF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds3

About 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80770662) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80770662
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N)c1C(C)C
InChIInChI=1S/C9H16N4/c1-4-11-9-7(6(2)3)8(10)12-5-13-9/h5-6H,4H2,1-3H3,(H3,10,11,12,13)
InChIKeyMKUZEELADQKUDF-UHFFFAOYSA-N
XLogP1.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901
4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767834
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 104830574
ethane;4-N-ethylpyrimidine-4,5,6-triamine
CID 142869068
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
6-(2,2-dimethylhydrazinyl)-5-propan-2-ylpyrimidin-4-amine
CID 83027191
4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782939
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80829528
4-N-(5-methylsulfanylpentyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 114129044

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80770662) is 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MKUZEELADQKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-11-9-7(6(2)3)8(10)12-5-13-9/h5-6H,4H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80770662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).