4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde

C11H14ClN3O2 — CID 66366535

IUPAC4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCC1CCCCO1
InChIInChI=1S/C11H14ClN3O2/c12-10-9(6-16)11(15-7-14-10)13-5-8-3-1-2-4-17-8/h6-8H,1-5H2,(H,13,14,15)
InChIKeyGXTZRHYMDPJVOX-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.92
Rot. Bonds4

About 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde

4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde (PubChem CID 66366535) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde
PubChem CID66366535
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCC1CCCCO1
InChIInChI=1S/C11H14ClN3O2/c12-10-9(6-16)11(15-7-14-10)13-5-8-3-1-2-4-17-8/h6-8H,1-5H2,(H,13,14,15)
InChIKeyGXTZRHYMDPJVOX-UHFFFAOYSA-N
XLogP1.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.92
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

6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
4-chloro-6-(oxan-3-ylamino)pyrimidine-5-carbaldehyde
CID 66366543
4-chloro-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66366537
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
4-chloro-6-(oxolan-3-ylamino)pyrimidine-5-carbaldehyde
CID 80714100
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
4-chloro-6-[(2-methylcycloheptyl)amino]pyrimidine-5-carbaldehyde
CID 66369213
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde (CID 66366535) is 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1NCC1CCCCO1.
What is the InChIKey of 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is GXTZRHYMDPJVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-9(6-16)11(15-7-14-10)13-5-8-3-1-2-4-17-8/h6-8H,1-5H2,(H,13,14,15).
What are the key properties of 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde?
4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 255.70 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66366535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).