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

C13H19ClN4O — CID 80732693

IUPAC4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCC2CCCN(C)C2)n1
InChIInChI=1S/C13H19ClN4O/c1-9-16-12(14)11(8-19)13(17-9)15-6-10-4-3-5-18(2)7-10/h8,10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQOSNYEHOJZDDHS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.00
Rot. Bonds4

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

4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde (PubChem CID 80732693) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
PubChem CID80732693
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCC2CCCN(C)C2)n1
InChIInChI=1S/C13H19ClN4O/c1-9-16-12(14)11(8-19)13(17-9)15-6-10-4-3-5-18(2)7-10/h8,10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQOSNYEHOJZDDHS-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 80732605
4-chloro-6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725369
4-chloro-2-methyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 114516480
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
CID 81035942
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63730175
4-chloro-6-[2-(cyclopropylmethoxy)ethylamino]-2-methylpyrimidine-5-carbaldehyde
CID 114098545
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
4-chloro-6-(cyclooctylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80731884
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
CID 63729418

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde (CID 80732693) is 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NCC2CCCN(C)C2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is QOSNYEHOJZDDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9-16-12(14)11(8-19)13(17-9)15-6-10-4-3-5-18(2)7-10/h8,10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 282.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).