6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine

C10H10ClN5O3 — CID 79238315

IUPAC6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1noc(C)c1CNc1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN5O3/c1-5-7(6(2)19-15-5)3-12-10-8(16(17)18)9(11)13-4-14-10/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyBICVRAWFDPDYSF-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.26
Rot. Bonds4

About 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine

6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 79238315) has the molecular formula C10H10ClN5O3 and a molecular weight of 283.68 g/mol. Its IUPAC name is 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID79238315
Molecular FormulaC10H10ClN5O3
Molecular Weight283.68 g/mol
Exact Mass283.05
IUPAC Name6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1noc(C)c1CNc1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN5O3/c1-5-7(6(2)19-15-5)3-12-10-8(16(17)18)9(11)13-4-14-10/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyBICVRAWFDPDYSF-UHFFFAOYSA-N
XLogP2.26
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
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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Related Compounds

6-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101050
6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 65245310
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 79035565
1-[(6-chloro-5-nitropyrimidin-4-yl)amino]propan-2-one
CID 154151713
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoro-2-nitroaniline
CID 47983753
(2R)-1-[(6-chloro-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 141342242
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 79241724
6-chloro-5-nitro-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195915
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 79238103
6-chloro-N-(3-methylsulfonylpropyl)-5-nitropyrimidin-4-amine
CID 62100715
4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80848891
3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66169975

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine (CID 79238315) is 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine is Cc1noc(C)c1CNc1ncnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is BICVRAWFDPDYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3/c1-5-7(6(2)19-15-5)3-12-10-8(16(17)18)9(11)13-4-14-10/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine?
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 283.68 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 79238315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).