6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine

C14H26N4 — CID 80976798

IUPAC6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NC(C)(C)CC)c1C
InChIInChI=1S/C14H26N4/c1-7-11-16-12(15-9-3)10(4)13(17-11)18-14(5,6)8-2/h7-9H2,1-6H3,(H2,15,16,17,18)
InChIKeyBPQHARSWFMOIOK-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.38
Rot. Bonds6

About 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine

6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80976798) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80976798
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NC(C)(C)CC)c1C
InChIInChI=1S/C14H26N4/c1-7-11-16-12(15-9-3)10(4)13(17-11)18-14(5,6)8-2/h7-9H2,1-6H3,(H2,15,16,17,18)
InChIKeyBPQHARSWFMOIOK-UHFFFAOYSA-N
XLogP3.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
CID 80991789
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982855
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80812195
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159606
3-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80982715

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 80976798) is 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine is CCNc1nc(CC)nc(NC(C)(C)CC)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is BPQHARSWFMOIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-11-16-12(15-9-3)10(4)13(17-11)18-14(5,6)8-2/h7-9H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80976798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).