6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine

C14H26N4 — CID 80955647

IUPAC6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(CC)CC)nc(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-11(7-2)16-13-9-12(15-8-3)17-14(18-13)10(4)5/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyJIEUUYZTOCGSOG-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.63
Rot. Bonds7

About 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80955647) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80955647
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(CC)CC)nc(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-11(7-2)16-13-9-12(15-8-3)17-14(18-13)10(4)5/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyJIEUUYZTOCGSOG-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959645
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
CID 80818389
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80962750
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 80967250

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80955647) is 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NC(CC)CC)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is JIEUUYZTOCGSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-11(7-2)16-13-9-12(15-8-3)17-14(18-13)10(4)5/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).