4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine

C15H13N5O3 — CID 2835949

IUPAC4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(C)nc(NN=Cc3ccc([N+](=O)[O-])cc3)nc2o1
InChIInChI=1S/C15H13N5O3/c1-9-7-13-10(2)17-15(18-14(13)23-9)19-16-8-11-3-5-12(6-4-11)20(21)22/h3-8H,1-2H3,(H,17,18,19)
InChIKeySLRRUDVQDNZVBP-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.19
Rot. Bonds4

About 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine

4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine (PubChem CID 2835949) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine
PubChem CID2835949
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(C)nc(NN=Cc3ccc([N+](=O)[O-])cc3)nc2o1
InChIInChI=1S/C15H13N5O3/c1-9-7-13-10(2)17-15(18-14(13)23-9)19-16-8-11-3-5-12(6-4-11)20(21)22/h3-8H,1-2H3,(H,17,18,19)
InChIKeySLRRUDVQDNZVBP-UHFFFAOYSA-N
XLogP3.19
TPSA106.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
4-N-(3,4-dimethylphenyl)-6-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 6229337
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539
2-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-N-(3,4-dimethylphenyl)-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 6229336
2-N-[(E)-(4-methylphenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 92864195
2-N-[(E)-(4-chlorophenyl)methylideneamino]-4-N-(2-methylphenyl)-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 10116367
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-nitroaniline
CID 110842153
5-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-pentan-3-yl-1,3-oxazole-4-carbonitrile
CID 4700402
5-butyl-4-methyl-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135886831

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine (CID 2835949) is 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine is Cc1cc2c(C)nc(NN=Cc3ccc([N+](=O)[O-])cc3)nc2o1.
What is the InChIKey of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine?
The InChIKey is SLRRUDVQDNZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-9-7-13-10(2)17-15(18-14(13)23-9)19-16-8-11-3-5-12(6-4-11)20(21)22/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine?
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine has a molecular weight of 311.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]furo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 2835949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).