N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine

C10H14N4O2 — CID 104626084

IUPACN-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCCC2CC2)nc1
InChIInChI=1S/C10H14N4O2/c15-14(16)9-6-12-10(13-7-9)11-5-1-2-8-3-4-8/h6-8H,1-5H2,(H,11,12,13)
InChIKeyHEBNIYISBCUNRZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.99
Rot. Bonds6

About N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine

N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine (PubChem CID 104626084) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine
PubChem CID104626084
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCCC2CC2)nc1
InChIInChI=1S/C10H14N4O2/c15-14(16)9-6-12-10(13-7-9)11-5-1-2-8-3-4-8/h6-8H,1-5H2,(H,11,12,13)
InChIKeyHEBNIYISBCUNRZ-UHFFFAOYSA-N
XLogP1.99
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine (CID 104626084) is N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine is O=[N+]([O-])c1cnc(NCCCC2CC2)nc1.
What is the InChIKey of N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine?
The InChIKey is HEBNIYISBCUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-14(16)9-6-12-10(13-7-9)11-5-1-2-8-3-4-8/h6-8H,1-5H2,(H,11,12,13).
What are the key properties of N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine?
N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine has a molecular weight of 222.25 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 104626084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).