6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine

C10H16ClN3O — CID 82944385

IUPAC6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1cc(Cl)ncn1
InChIInChI=1S/C10H16ClN3O/c1-2-5-15-6-3-4-12-10-7-9(11)13-8-14-10/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyPJTBDHFOQLASJS-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.36
Rot. Bonds7

About 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine

6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine (PubChem CID 82944385) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
PubChem CID82944385
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
SMILESCCCOCCCNc1cc(Cl)ncn1
InChIInChI=1S/C10H16ClN3O/c1-2-5-15-6-3-4-12-10-7-9(11)13-8-14-10/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyPJTBDHFOQLASJS-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 53410275
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
N-(3-ethoxypropyl)-6-hydrazinylpyrimidin-4-amine
CID 80944066
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994
4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248398

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine (CID 82944385) is 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine is CCCOCCCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine?
The InChIKey is PJTBDHFOQLASJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-5-15-6-3-4-12-10-7-9(11)13-8-14-10/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine?
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 82944385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).