2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine

C14H24ClN3O2 — CID 88863966

IUPAC2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCOC(OCC)c1cnc(Cl)nc1NC(CC)CC
InChIInChI=1S/C14H24ClN3O2/c1-5-10(6-2)17-12-11(9-16-14(15)18-12)13(19-7-3)20-8-4/h9-10,13H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyFIFBZZFGCONAPX-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.80
Rot. Bonds9

About 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine

2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 88863966) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine
PubChem CID88863966
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCOC(OCC)c1cnc(Cl)nc1NC(CC)CC
InChIInChI=1S/C14H24ClN3O2/c1-5-10(6-2)17-12-11(9-16-14(15)18-12)13(19-7-3)20-8-4/h9-10,13H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyFIFBZZFGCONAPX-UHFFFAOYSA-N
XLogP3.80
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-N-pentan-3-ylpyrimidine-4,5-diamine
CID 58016005
4-[2-chloro-4-(pentan-3-ylamino)pyrimidin-5-yl]but-3-yn-2-ol
CID 86637349
[2-chloro-5-(hexan-3-ylamino)pyrimidin-4-yl]-ethoxymethanol
CID 123556668
2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 79075572
2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 79081841
2,4-dichloro-5-ethoxypyrimidine
CID 15565270
2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine
CID 130751690
3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
CID 114999367
2-chloro-3-(diethoxymethyl)pyridine
CID 139621057
2-chloro-5-(3,3-diethoxyprop-1-ynyl)-N-phenylpyrimidin-4-amine
CID 158502573
5-bromo-2-chloro-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 79072826
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine (CID 88863966) is 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine is CCOC(OCC)c1cnc(Cl)nc1NC(CC)CC.
What is the InChIKey of 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is FIFBZZFGCONAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-5-10(6-2)17-12-11(9-16-14(15)18-12)13(19-7-3)20-8-4/h9-10,13H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine?
2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethoxymethyl)-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 88863966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).