N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine

C12H20N4 — CID 117212128

IUPACN'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
SMILESCCc1nc(C2CC2)ncc1NCCCN
InChIInChI=1S/C12H20N4/c1-2-10-11(14-7-3-6-13)8-15-12(16-10)9-4-5-9/h8-9,14H,2-7,13H2,1H3
InChIKeyRRKSNAMROUSOMV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.68
Rot. Bonds6

About N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine

N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine (PubChem CID 117212128) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
PubChem CID117212128
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
SMILESCCc1nc(C2CC2)ncc1NCCCN
InChIInChI=1S/C12H20N4/c1-2-10-11(14-7-3-6-13)8-15-12(16-10)9-4-5-9/h8-9,14H,2-7,13H2,1H3
InChIKeyRRKSNAMROUSOMV-UHFFFAOYSA-N
XLogP1.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.68
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-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
CID 117211459
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
CID 117211607
5-bromo-2-cyclopropyl-4-ethylpyrimidine
CID 82374760
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212057
2-cyclopropyl-4-ethyl-5-methylpyrimidine
CID 123992925
N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
CID 117211581
4-(3-aminopropyl)-2-cyclopropylpyrimidin-5-ol
CID 83878403
N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211923
2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine
CID 83903387
N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine
CID 117212191
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine (CID 117212128) is N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine is CCc1nc(C2CC2)ncc1NCCCN.
What is the InChIKey of N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine?
The InChIKey is RRKSNAMROUSOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-10-11(14-7-3-6-13)8-15-12(16-10)9-4-5-9/h8-9,14H,2-7,13H2,1H3.
What are the key properties of N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine?
N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 117212128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).