6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine

C14H26N4 — CID 80980535

IUPAC6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCC(C)C)c1C
InChIInChI=1S/C14H26N4/c1-7-15-13-11(6)14(16-8-9(2)3)18-12(17-13)10(4)5/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyWOEWTLIQNXZVGK-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.41
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80980535) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80980535
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCC(C)C)c1C
InChIInChI=1S/C14H26N4/c1-7-15-13-11(6)14(16-8-9(2)3)18-12(17-13)10(4)5/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyWOEWTLIQNXZVGK-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80980535) is 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(NCC(C)C)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WOEWTLIQNXZVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-15-13-11(6)14(16-8-9(2)3)18-12(17-13)10(4)5/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).