4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine

C14H24ClN3 — CID 62086546

IUPAC4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCCCCN(C)c1cnc(C(C)C)nc1CCl
InChIInChI=1S/C14H24ClN3/c1-5-6-7-8-18(4)13-10-16-14(11(2)3)17-12(13)9-15/h10-11H,5-9H2,1-4H3
InChIKeyMWMVZGSLFVDILC-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.97
Rot. Bonds7

About 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine

4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62086546) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID62086546
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCCCCN(C)c1cnc(C(C)C)nc1CCl
InChIInChI=1S/C14H24ClN3/c1-5-6-7-8-18(4)13-10-16-14(11(2)3)17-12(13)9-15/h10-11H,5-9H2,1-4H3
InChIKeyMWMVZGSLFVDILC-UHFFFAOYSA-N
XLogP3.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62088695
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
4-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112663645
N-butan-2-yl-4-(chloromethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 55032896
4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine
CID 62087271
4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62087436
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
4-(chloromethyl)-N-ethyl-N-phenyl-2-propan-2-ylpyrimidin-5-amine
CID 62087802
4-(chloromethyl)-N-methyl-N-(oxan-4-yl)-2-propan-2-ylpyrimidin-5-amine
CID 55032990
4-(chloromethyl)-N-ethyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63445678
2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
CID 62088140
4-(chloromethyl)-2-propan-2-yl-5-propoxypyrimidine
CID 62087446

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine (CID 62086546) is 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine is CCCCCN(C)c1cnc(C(C)C)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is MWMVZGSLFVDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-5-6-7-8-18(4)13-10-16-14(11(2)3)17-12(13)9-15/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine?
4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 269.82 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62086546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).