[1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide

C10H19N5 — CID 18340112

IUPAC[1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
SMILESCCNCCCN1CCCN=C1NC#N
InChIInChI=1S/C10H19N5/c1-2-12-5-3-7-15-8-4-6-13-10(15)14-9-11/h12H,2-8H2,1H3,(H,13,14)
InChIKeyNJUQMUATWMAIPT-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.12
Rot. Bonds5

About [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide

[1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide (PubChem CID 18340112) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
PubChem CID18340112
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name[1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
SMILESCCNCCCN1CCCN=C1NC#N
InChIInChI=1S/C10H19N5/c1-2-12-5-3-7-15-8-4-6-13-10(15)14-9-11/h12H,2-8H2,1H3,(H,13,14)
InChIKeyNJUQMUATWMAIPT-UHFFFAOYSA-N
XLogP0.12
TPSA63.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
The IUPAC name of [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide (CID 18340112) is [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
The canonical SMILES for [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide is CCNCCCN1CCCN=C1NC#N.
What is the InChIKey of [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
The InChIKey is NJUQMUATWMAIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-12-5-3-7-15-8-4-6-13-10(15)14-9-11/h12H,2-8H2,1H3,(H,13,14).
What are the key properties of [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide?
[1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide has a molecular weight of 209.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 18340112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).