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

C10H10ClN5O3 — CID 114182515

IUPAC6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2ncnc(Cl)c2[N+](=O)[O-])o1
InChIInChI=1S/C10H10ClN5O3/c1-5-3-12-10(19-5)6(2)15-9-7(16(17)18)8(11)13-4-14-9/h3-4,6H,1-2H3,(H,13,14,15)
InChIKeyKHOFIOPOXBSNBK-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.51
Rot. Bonds4

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

6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine (PubChem CID 114182515) has the molecular formula C10H10ClN5O3 and a molecular weight of 283.68 g/mol. Its IUPAC name is 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
PubChem CID114182515
Molecular FormulaC10H10ClN5O3
Molecular Weight283.68 g/mol
Exact Mass283.05
IUPAC Name6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2ncnc(Cl)c2[N+](=O)[O-])o1
InChIInChI=1S/C10H10ClN5O3/c1-5-3-12-10(19-5)6(2)15-9-7(16(17)18)8(11)13-4-14-9/h3-4,6H,1-2H3,(H,13,14,15)
InChIKeyKHOFIOPOXBSNBK-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106389511
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-5-nitropyrimidin-4-amine
CID 66196435
6-chloro-N-(4-methylpentan-2-yl)-5-nitropyrimidin-4-amine
CID 62100858
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
CID 106388838
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 106388861
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide
CID 106388118
5-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388804
methyl 3-[(6-chloro-5-nitropyrimidin-4-yl)amino]butanoate
CID 114284007
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
CID 103946656
6-methoxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 114182450
6-chloro-N-heptan-2-yl-5-nitropyrimidin-4-amine
CID 55035621
6-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 112726541

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine (CID 114182515) is 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine is Cc1cnc(C(C)Nc2ncnc(Cl)c2[N+](=O)[O-])o1.
What is the InChIKey of 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The InChIKey is KHOFIOPOXBSNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3/c1-5-3-12-10(19-5)6(2)15-9-7(16(17)18)8(11)13-4-14-9/h3-4,6H,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine?
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine has a molecular weight of 283.68 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114182515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).