N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine

C12H20ClN3O — CID 115605791

IUPACN-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCCCCOCCCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C12H20ClN3O/c1-3-4-7-17-8-5-6-14-12-9-11(13)15-10(2)16-12/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySAYSEYHCMYPZIU-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.06
Rot. Bonds8

About N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine

N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 115605791) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
PubChem CID115605791
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCCCCOCCCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C12H20ClN3O/c1-3-4-7-17-8-5-6-14-12-9-11(13)15-10(2)16-12/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySAYSEYHCMYPZIU-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.06
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-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
N-(3-butoxypropyl)-2,6-dimethylpyridin-4-amine
CID 114272189
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine (CID 115605791) is N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine is CCCCOCCCNc1cc(Cl)nc(C)n1.
What is the InChIKey of N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is SAYSEYHCMYPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-4-7-17-8-5-6-14-12-9-11(13)15-10(2)16-12/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine?
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 257.76 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 115605791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).