5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine

C12H22N4 — CID 80803162

IUPAC5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC(C)C(C)CC
InChIInChI=1S/C12H22N4/c1-5-8(3)9(4)16-12-10(6-2)11(13)14-7-15-12/h7-9H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyNIMXDFZGNTXBLE-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.47
Rot. Bonds5

About 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine

5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80803162) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80803162
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC(C)C(C)CC
InChIInChI=1S/C12H22N4/c1-5-8(3)9(4)16-12-10(6-2)11(13)14-7-15-12/h7-9H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyNIMXDFZGNTXBLE-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
CID 82949631
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114152252
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212305
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 114139951
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
CID 114102431

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine (CID 80803162) is 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1NC(C)C(C)CC.
What is the InChIKey of 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is NIMXDFZGNTXBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-8(3)9(4)16-12-10(6-2)11(13)14-7-15-12/h7-9H,5-6H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80803162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).