4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde

C13H18ClN3O2 — CID 80733092

IUPAC4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NC2(CO)CCCCC2)n1
InChIInChI=1S/C13H18ClN3O2/c1-9-15-11(14)10(7-18)12(16-9)17-13(8-19)5-3-2-4-6-13/h7,19H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyFZLVWXLQSSEQRN-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.36
Rot. Bonds4

About 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 80733092) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde
PubChem CID80733092
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NC2(CO)CCCCC2)n1
InChIInChI=1S/C13H18ClN3O2/c1-9-15-11(14)10(7-18)12(16-9)17-13(8-19)5-3-2-4-6-13/h7,19H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyFZLVWXLQSSEQRN-UHFFFAOYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(cyclooctylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80731884
4-chloro-6-(4-hydroxybutylamino)-2-methylpyrimidine-5-carbaldehyde
CID 106842900
[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol
CID 81035955
4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde
CID 107318334
4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde
CID 114114412
[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
CID 102757923
4-chloro-6-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 114152164
[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80832083
4-chloro-6-[(4-ethylcyclohexyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80732235
[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115899064
[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 63023085
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde (CID 80733092) is 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NC2(CO)CCCCC2)n1.
What is the InChIKey of 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is FZLVWXLQSSEQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-15-11(14)10(7-18)12(16-9)17-13(8-19)5-3-2-4-6-13/h7,19H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 283.76 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80733092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).