5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine

C15H26ClN3 — CID 114215528

IUPAC5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1nc(C)ncc1CCl
InChIInChI=1S/C15H26ClN3/c1-6-14(7-2)19(10-11(3)4)15-13(8-16)9-17-12(5)18-15/h9,11,14H,6-8,10H2,1-5H3
InChIKeyVJILCEKSTBGWIU-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.17
Rot. Bonds7

About 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine

5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 114215528) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
PubChem CID114215528
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1nc(C)ncc1CCl
InChIInChI=1S/C15H26ClN3/c1-6-14(7-2)19(10-11(3)4)15-13(8-16)9-17-12(5)18-15/h9,11,14H,6-8,10H2,1-5H3
InChIKeyVJILCEKSTBGWIU-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
CID 113387964
5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 79491057
5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81235646
6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80837745
5-(2-aminopropyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 80630712
3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79484086
2-(chloromethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79483553
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
5-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79491889
6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
CID 79491278
6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
CID 79491060
2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80849271

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine (CID 114215528) is 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)N(CC(C)C)c1nc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is VJILCEKSTBGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-6-14(7-2)19(10-11(3)4)15-13(8-16)9-17-12(5)18-15/h9,11,14H,6-8,10H2,1-5H3.
What are the key properties of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine?
5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 283.85 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 114215528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).