2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine

C13H24N4 — CID 80704516

IUPAC2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C13H24N4/c1-4-5-6-11(8-14)17-13-7-12(10(2)3)15-9-16-13/h7,9-11H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyYLDMMWODUFWBKL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.53
Rot. Bonds7

About 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine

2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine (PubChem CID 80704516) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine
PubChem CID80704516
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C13H24N4/c1-4-5-6-11(8-14)17-13-7-12(10(2)3)15-9-16-13/h7,9-11H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyYLDMMWODUFWBKL-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine?
The IUPAC name of 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine (CID 80704516) is 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine is CCCCC(CN)Nc1cc(C(C)C)ncn1.
What is the InChIKey of 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine?
The InChIKey is YLDMMWODUFWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-5-6-11(8-14)17-13-7-12(10(2)3)15-9-16-13/h7,9-11H,4-6,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine?
2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine is sourced from PubChem (CID 80704516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).