6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

C10H16ClN3O — CID 104576938

IUPAC6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCOC(C)C)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)15-5-4-12-10-6-9(11)13-8(3)14-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyLSAZNEVUVJXCKB-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.28
Rot. Bonds5

About 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (PubChem CID 104576938) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
PubChem CID104576938
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCOC(C)C)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)15-5-4-12-10-6-9(11)13-8(3)14-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyLSAZNEVUVJXCKB-UHFFFAOYSA-N
XLogP2.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.28
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-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635870
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (CID 104576938) is 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NCCOC(C)C)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The InChIKey is LSAZNEVUVJXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(2)15-5-4-12-10-6-9(11)13-8(3)14-10/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 104576938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).