4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine

C16H26ClN3O — CID 62088519

IUPAC4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCOCCN(c1cnc(C(C)C)nc1CCl)C(C)C1CC1
InChIInChI=1S/C16H26ClN3O/c1-11(2)16-18-10-15(14(9-17)19-16)20(7-8-21-4)12(3)13-5-6-13/h10-13H,5-9H2,1-4H3
InChIKeyHRGIQDXOGOBPEV-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.59
Rot. Bonds8

About 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine

4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62088519) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID62088519
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCOCCN(c1cnc(C(C)C)nc1CCl)C(C)C1CC1
InChIInChI=1S/C16H26ClN3O/c1-11(2)16-18-10-15(14(9-17)19-16)20(7-8-21-4)12(3)13-5-6-13/h10-13H,5-9H2,1-4H3
InChIKeyHRGIQDXOGOBPEV-UHFFFAOYSA-N
XLogP3.59
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-(chloromethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 55032896
4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62087436
4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62088695
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
4-(chloromethyl)-N-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446591
N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 55059092
6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 55002940
4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
CID 62086546
2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80945319
4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine
CID 82749492
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918652

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine (CID 62088519) is 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine is COCCN(c1cnc(C(C)C)nc1CCl)C(C)C1CC1.
What is the InChIKey of 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is HRGIQDXOGOBPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-11(2)16-18-10-15(14(9-17)19-16)20(7-8-21-4)12(3)13-5-6-13/h10-13H,5-9H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine?
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 311.86 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62088519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).