2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine

C15H16N4O3 — CID 133298096

IUPAC2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CNc1ccnc(C2CC2)n1
InChIInChI=1S/C15H16N4O3/c1-22-13-5-4-12(19(20)21)8-11(13)9-17-14-6-7-16-15(18-14)10-2-3-10/h4-8,10H,2-3,9H2,1H3,(H,16,17,18)
InChIKeyQILHHPRFOXDFAL-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.88
Rot. Bonds6

About 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine

2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine (PubChem CID 133298096) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine
PubChem CID133298096
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CNc1ccnc(C2CC2)n1
InChIInChI=1S/C15H16N4O3/c1-22-13-5-4-12(19(20)21)8-11(13)9-17-14-6-7-16-15(18-14)10-2-3-10/h4-8,10H,2-3,9H2,1H3,(H,16,17,18)
InChIKeyQILHHPRFOXDFAL-UHFFFAOYSA-N
XLogP2.88
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine (CID 133298096) is 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine is COc1ccc([N+](=O)[O-])cc1CNc1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine?
The InChIKey is QILHHPRFOXDFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-13-5-4-12(19(20)21)8-11(13)9-17-14-6-7-16-15(18-14)10-2-3-10/h4-8,10H,2-3,9H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine has a molecular weight of 300.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133298096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).