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

C13H24N4 — CID 107844656

IUPACN'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
SMILESCC(C)c1cc(NCCCCCCN)ncn1
InChIInChI=1S/C13H24N4/c1-11(2)12-9-13(17-10-16-12)15-8-6-4-3-5-7-14/h9-11H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyBUSXPYNEXUTEPL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.53
Rot. Bonds8

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

N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine (PubChem CID 107844656) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
PubChem CID107844656
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
SMILESCC(C)c1cc(NCCCCCCN)ncn1
InChIInChI=1S/C13H24N4/c1-11(2)12-9-13(17-10-16-12)15-8-6-4-3-5-7-14/h9-11H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyBUSXPYNEXUTEPL-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
CID 63870539
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine
CID 114759145
3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine
CID 72838162
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779

Frequently Asked Questions

What is the IUPAC name of N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine (CID 107844656) is N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine is CC(C)c1cc(NCCCCCCN)ncn1.
What is the InChIKey of N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine?
The InChIKey is BUSXPYNEXUTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)12-9-13(17-10-16-12)15-8-6-4-3-5-7-14/h9-11H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine?
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 107844656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).