6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine

C16H30N4 — CID 80991789

IUPAC6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NC(CC)(CC)CC)c1C
InChIInChI=1S/C16H30N4/c1-7-13-18-14(17-11-5)12(6)15(19-13)20-16(8-2,9-3)10-4/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyOBSLKRZKFONXJH-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.16
Rot. Bonds8

About 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80991789) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
PubChem CID80991789
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NC(CC)(CC)CC)c1C
InChIInChI=1S/C16H30N4/c1-7-13-18-14(17-11-5)12(6)15(19-13)20-16(8-2,9-3)10-4/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyOBSLKRZKFONXJH-UHFFFAOYSA-N
XLogP4.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982855
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 80983064
1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159606
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854317
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine (CID 80991789) is 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine is CCNc1nc(CC)nc(NC(CC)(CC)CC)c1C.
What is the InChIKey of 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is OBSLKRZKFONXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-13-18-14(17-11-5)12(6)15(19-13)20-16(8-2,9-3)10-4/h7-11H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80991789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).