N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C14H24ClN3O — CID 112635636

IUPACN-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCCC(CC)(CCl)Nc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-6-14(7-2,9-15)18-13-16-11(5)8-12(17-13)19-10(3)4/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyCQRANRDSRIUASD-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.78
Rot. Bonds7

About N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112635636) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112635636
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCCC(CC)(CCl)Nc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-6-14(7-2,9-15)18-13-16-11(5)8-12(17-13)19-10(3)4/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyCQRANRDSRIUASD-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine with MolForge

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Related Compounds

2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
CID 106165726
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
CID 112634927
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
methyl 2-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoate
CID 115973686
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
N-[[1-(chloromethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 103969249

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 112635636) is N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is CCC(CC)(CCl)Nc1nc(C)cc(OC(C)C)n1.
What is the InChIKey of N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is CQRANRDSRIUASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-6-14(7-2,9-15)18-13-16-11(5)8-12(17-13)19-10(3)4/h8,10H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 285.82 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112635636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).