4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde

C11H11ClN4O2 — CID 106375447

IUPAC4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCc2ncc(C)o2)n1
InChIInChI=1S/C11H11ClN4O2/c1-6-3-13-9(18-6)4-14-11-8(5-17)10(12)15-7(2)16-11/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyQZSUYOWGRVNBRY-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.16
Rot. Bonds4

About 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde (PubChem CID 106375447) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde
PubChem CID106375447
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCc2ncc(C)o2)n1
InChIInChI=1S/C11H11ClN4O2/c1-6-3-13-9(18-6)4-14-11-8(5-17)10(12)15-7(2)16-11/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyQZSUYOWGRVNBRY-UHFFFAOYSA-N
XLogP2.16
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375469
4-chloro-6-[(2-chlorophenyl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80731652
4-chloro-2-methyl-6-(1H-pyrazol-4-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106193412
4-chloro-2-methyl-6-(thiophen-2-ylmethylamino)pyrimidine-5-carbaldehyde
CID 80732585
4-chloro-2-methyl-6-(1H-pyrazol-5-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106194341
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 114186752
4-chloro-6-(4-hydroxybutylamino)-2-methylpyrimidine-5-carbaldehyde
CID 106842900
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde
CID 107318334
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 167970186

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde (CID 106375447) is 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NCc2ncc(C)o2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is QZSUYOWGRVNBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-6-3-13-9(18-6)4-14-11-8(5-17)10(12)15-7(2)16-11/h3,5H,4H2,1-2H3,(H,14,15,16).
What are the key properties of 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 266.69 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106375447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).