6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine

C14H18N6O2 — CID 14278794

IUPAC6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
SMILESCCNc1ccc(-c2c(N)nc(N)nc2CC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N6O2/c1-3-9-12(13(15)19-14(16)18-9)8-5-6-10(17-4-2)11(7-8)20(21)22/h5-7,17H,3-4H2,1-2H3,(H4,15,16,18,19)
InChIKeyUPDDRRLHVVTNOD-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.21
Rot. Bonds5

About 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine

6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine (PubChem CID 14278794) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
PubChem CID14278794
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
SMILESCCNc1ccc(-c2c(N)nc(N)nc2CC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N6O2/c1-3-9-12(13(15)19-14(16)18-9)8-5-6-10(17-4-2)11(7-8)20(21)22/h5-7,17H,3-4H2,1-2H3,(H4,15,16,18,19)
InChIKeyUPDDRRLHVVTNOD-UHFFFAOYSA-N
XLogP2.21
TPSA132.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine (CID 14278794) is 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine is CCNc1ccc(-c2c(N)nc(N)nc2CC)cc1[N+](=O)[O-].
What is the InChIKey of 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
The InChIKey is UPDDRRLHVVTNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-3-9-12(13(15)19-14(16)18-9)8-5-6-10(17-4-2)11(7-8)20(21)22/h5-7,17H,3-4H2,1-2H3,(H4,15,16,18,19).
What are the key properties of 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine has a molecular weight of 302.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[4-(ethylamino)-3-nitrophenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14278794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).