2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine

C16H28N4 — CID 80985625

IUPAC2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCCCNc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C16H28N4/c1-4-6-7-8-11-18-15-12(3)14(17-5-2)19-16(20-15)13-9-10-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyBVWAIAKSADWOLS-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.09
Rot. Bonds9

About 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80985625) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
PubChem CID80985625
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCCCNc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C16H28N4/c1-4-6-7-8-11-18-15-12(3)14(17-5-2)19-16(20-15)13-9-10-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyBVWAIAKSADWOLS-UHFFFAOYSA-N
XLogP4.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
CID 107765323
2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985452
6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882
3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311788
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80984218
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007682
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine (CID 80985625) is 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine is CCCCCCNc1nc(C2CC2)nc(NCC)c1C.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is BVWAIAKSADWOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-6-7-8-11-18-15-12(3)14(17-5-2)19-16(20-15)13-9-10-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).