3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine

C14H26N4 — CID 72838162

IUPAC3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine
SMILESCCN(C)C(C)CCNc1cc(C(C)C)ncn1
InChIInChI=1S/C14H26N4/c1-6-18(5)12(4)7-8-15-14-9-13(11(2)3)16-10-17-14/h9-12H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyGJQKTBOTHBRZCG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.74
Rot. Bonds7

About 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine

3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine (PubChem CID 72838162) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine
PubChem CID72838162
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine
SMILESCCN(C)C(C)CCNc1cc(C(C)C)ncn1
InChIInChI=1S/C14H26N4/c1-6-18(5)12(4)7-8-15-14-9-13(11(2)3)16-10-17-14/h9-12H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyGJQKTBOTHBRZCG-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine (CID 72838162) is 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine is CCN(C)C(C)CCNc1cc(C(C)C)ncn1.
What is the InChIKey of 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine?
The InChIKey is GJQKTBOTHBRZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-18(5)12(4)7-8-15-14-9-13(11(2)3)16-10-17-14/h9-12H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine?
3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 72838162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).