N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine

C12H22N4 — CID 117212191

IUPACN'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine
SMILESCCc1ncc(NCCCN)c(C(C)C)n1
InChIInChI=1S/C12H22N4/c1-4-11-15-8-10(14-7-5-6-13)12(16-11)9(2)3/h8-9,14H,4-7,13H2,1-3H3
InChIKeyMIQOLKPJACFWKT-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.92
Rot. Bonds6

About N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine

N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine (PubChem CID 117212191) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine
PubChem CID117212191
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine
SMILESCCc1ncc(NCCCN)c(C(C)C)n1
InChIInChI=1S/C12H22N4/c1-4-11-15-8-10(14-7-5-6-13)12(16-11)9(2)3/h8-9,14H,4-7,13H2,1-3H3
InChIKeyMIQOLKPJACFWKT-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.92
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'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117212185
N'-[4-(3-chlorophenyl)-2-ethylpyrimidin-5-yl]propane-1,3-diamine
CID 117211767
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212057
N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212070
5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one
CID 117211383
4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol
CID 136934593
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
CID 136934549
N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212128
N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
N'-[4-(4-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211984
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
CID 159079953
CID 159079953

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine (CID 117212191) is N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine is CCc1ncc(NCCCN)c(C(C)C)n1.
What is the InChIKey of N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine?
The InChIKey is MIQOLKPJACFWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-11-15-8-10(14-7-5-6-13)12(16-11)9(2)3/h8-9,14H,4-7,13H2,1-3H3.
What are the key properties of N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine?
N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 117212191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).